Beljkas, M.; Zukic, S.; Mirjacic Martinovic, K.; Djuric, A.; Vuletic, A.; Corinne, J.; Hölzel, J.; Böttger, E.; Gajić, M.; Santibanez F, J.; Stark, H.; Živković, A.; Srdic-Rajic, T.; Arimondo, P.; Maran, U.; Nikolic, K.; Petkovic, M.; Oljacic, S. Molecular Docking, Machine Learning-Guided Design, Synthesis, and Biological Evaluation of Novel Multitarget HDAC/ROCK Inhibitors. ChemRxiv 2025.

308 compounds | Property pIC50expROCK2: ROCK2 enzyme inhibition [-log(uM)]

ID	Name	pIC50expROCK2	Details
r0tr	CHEMBL3689476	4.83	View
r1tr	CHEMBL3689363	4.87	View
r3tr	CHEMBL3689356	4.91	View
r4tr	CHEMBL3689372	4.93	View
r6tr	CHEMBL3689359	5	View
r7tr	CHEMBL3689423	5.14	View
r9tr	CHEMBL3689371	5.18	View
r10tr	CHEMBL3689386	5.19	View
r12tr	CHEMBL3689409	5.22	View
r13tr	CHEMBL3689467	5.24	View
r15tr	CHEMBL3689358	5.33	View
r16tr	CHEMBL3689490	5.35	View
r18tr	CHEMBL3689479	5.38	View
r19tr	CHEMBL3689488	5.39	View
r21tr	CHEMBL3689468	5.43	View
r22tr	CHEMBL3689357	5.44	View
r24tr	CHEMBL3689471	5.44	View
r25tr	CHEMBL3689472	5.44	View
r27tr	CHEMBL3689351	5.46	View
r28tr	CHEMBL3689497	5.51	View
r30tr	CHEMBL3689350	5.56	View
r31tr	CHEMBL3689380	5.56	View
r33tr	CHEMBL3689466	5.59	View
r34tr	CHEMBL3689362	5.62	View
r36tr	CHEMBL3689370	5.67	View
r37tr	CHEMBL3689450	5.69	View
r39tr	CHEMBL3639882	5.73	View
r40tr	CHEMBL3689469	5.75	View
r42tr	CHEMBL3689425	5.78	View
r43tr	CHEMBL3689478	5.78	View
r45tr	CHEMBL3689366	5.79	View
r46tr	CHEMBL3689452	5.83	View
r48tr	CHEMBL602437	5.89	View
r49tr	CHEMBL3689346	5.91	View
r51tr	CHEMBL3689483	5.95	View
r52tr	CHEMBL3689456	5.96	View
r54tr	CHEMBL3689378	5.99	View
r55tr	CHEMBL3689498	6.1	View
r57tr	CHEMBL3689390	6.14	View
r58tr	CHEMBL3689480	6.14	View
r60tr	CHEMBL3689408	6.18	View
r61tr	CHEMBL604249	6.18	View
r63tr	CHEMBL3689482	6.2	View
r64tr	CHEMBL3689499	6.22	View
r66tr	CHEMBL3689369	6.23	View
r67tr	CHEMBL3689387	6.23	View
r69tr	CHEMBL3689459	6.24	View
r70tr	CHEMBL3689365	6.26	View
r72tr	CHEMBL3689361	6.28	View
r73tr	CHEMBL3689463	6.29	View
r75tr	CHEMBL3639883	6.36	View
r76tr	CHEMBL3689397	6.36	View
r78tr	CHEMBL3689473	6.43	View
r79tr	CHEMBL3689432	6.44	View
r81tr	CHEMBL3689430	6.45	View
r82tr	CHEMBL589102	6.46	View
r84tr	CHEMBL3689406	6.49	View
r85tr	CHEMBL3689455	6.49	View
r87tr	CHEMBL597126	6.5	View
r88tr	CHEMBL603162	6.54	View
r90tr	CHEMBL3689402	6.55	View
r91tr	CHEMBL3689424	6.56	View
r93tr	CHEMBL3689348	6.59	View
r94tr	CHEMBL3689460	6.59	View
r96tr	CHEMBL3689438	6.6	View
r97tr	CHEMBL3689447	6.62	View
r99tr	CHEMBL592709	6.64	View
r100tr	CHEMBL599792	6.64	View
r102tr	CHEMBL3689377	6.68	View
r103tr	CHEMBL590826	6.68	View
r105tr	CHEMBL3689394	6.72	View
r106tr	CHEMBL591355	6.75	View
r108tr	CHEMBL3689405	6.78	View
r109tr	CHEMBL3689505	6.78	View
r111tr	CHEMBL590811	6.8	View
r112tr	CHEMBL3689492	6.81	View
r114tr	CHEMBL3689403	6.81	View
r115tr	CHEMBL3689382	6.84	View
r117tr	CHEMBL3689383	6.86	View
r118tr	CHEMBL3689360	6.87	View
r120tr	CHEMBL3689461	6.96	View
r121tr	CHEMBL3689368	6.97	View
r123tr	CHEMBL3689419	6.99	View
r124tr	CHEMBL3689465	7	View
r126tr	CHEMBL3689401	7.06	View
r127tr	CHEMBL3689495	7.06	View
r129tr	CHEMBL3238163	7.12	View
r130tr	CHEMBL3238165	7.12	View
r132tr	CHEMBL3639795	7.14	View
r133tr	CHEMBL3680803	7.14	View
r135tr	CHEMBL3689416	7.16	View
r136tr	CHEMBL3689379	7.16	View
r138tr	CHEMBL3238164	7.17	View
r139tr	CHEMBL3238166	7.19	View
r141tr	CHEMBL3689418	7.2	View
r142tr	CHEMBL3689389	7.24	View
r144tr	CHEMBL3680798	7.25	View
r145tr	CHEMBL3680794	7.32	View
r147tr	CHEMBL590810	7.32	View
r148tr	CHEMBL3680745	7.34	View
r150tr	CHEMBL3700936	7.35	View
r151tr	CHEMBL591058	7.35	View
r153tr	CHEMBL3689440	7.37	View
r154tr	CHEMBL3680705	7.4	View
r156tr	CHEMBL3680782	7.41	View
r157tr	CHEMBL599163	7.41	View
r159tr	CHEMBL3238168	7.44	View
r160tr	CHEMBL3689442	7.46	View
r162tr	CHEMBL3704395	7.48	View
r163tr	CHEMBL3689400	7.5	View
r165tr	CHEMBL3704397	7.51	View
r166tr	CHEMBL3680799	7.52	View
r168tr	CHEMBL3689422	7.52	View
r169tr	CHEMBL3704380	7.52	View
r171tr	CHEMBL3700967	7.54	View
r172tr	CHEMBL3704377	7.54	View
r174tr	CHEMBL3680723	7.58	View
r175tr	CHEMBL3680764	7.58	View
r177tr	CHEMBL3238167	7.62	View
r178tr	CHEMBL3704393	7.62	View
r180tr	CHEMBL3700915	7.72	View
r181tr	CHEMBL3680743	7.77	View
r183tr	CHEMBL3704379	7.77	View
r184tr	CHEMBL3700948	7.8	View
r186tr	CHEMBL591116	7.85	View
r187tr	CHEMBL3700944	7.89	View
r189tr	CHEMBL3680747	7.91	View
r190tr	CHEMBL3680732	7.92	View
r192tr	CHEMBL3700953	7.95	View
r193tr	CHEMBL3680724	7.96	View
r195tr	CHEMBL3700909	7.96	View
r196tr	CHEMBL3700971	7.96	View
r198tr	CHEMBL3680718	8	View
r199tr	CHEMBL3700940	8	View
r201tr	CHEMBL3704370	8.01	View
r202tr	CHEMBL3680720	8.03	View
r204tr	CHEMBL3700911	8.07	View
r205tr	CHEMBL3704374	8.08	View
r207tr	CHEMBL3680699	8.1	View
r208tr	CHEMBL3700983	8.1	View
r210tr	CHEMBL3700954	8.13	View
r211tr	CHEMBL3704376	8.15	View
r213tr	CHEMBL3704381	8.16	View
r214tr	CHEMBL3700973	8.17	View
r216tr	CHEMBL3704375	8.17	View
r217tr	CHEMBL3704378	8.2	View
r219tr	CHEMBL3700970	8.24	View
r220tr	CHEMBL3680695	8.29	View
r222tr	CHEMBL3704383	8.31	View
r223tr	CHEMBL3680710	8.34	View
r225tr	CHEMBL3704382	8.38	View
r226tr	CHEMBL3700950	8.39	View
r228tr	CHEMBL3680762	8.41	View
r229tr	CHEMBL3700963	8.42	View
r231tr	CHEMBL3700974	8.44	View
r232tr	CHEMBL3700978	8.44	View
r234tr	CHEMBL3680780	8.58	View
r235tr	CHEMBL3680749	8.59	View
r237tr	CHEMBL3700907	8.66	View
r238tr	CHEMBL3700956	8.68	View
r240tr	CHEMBL3680708	8.7	View
r241tr	CHEMBL3680719	8.7	View
r243tr	CHEMBL3700972	8.7	View
r244tr	CHEMBL3680694	8.72	View
r246tr	CHEMBL3700958	8.77	View
r247tr	CHEMBL3700975	8.77	View
r249tr	CHEMBL3680714	8.85	View
r250tr	CHEMBL3680737	8.85	View
r252tr	CHEMBL3680746	8.9	View
r253tr	CHEMBL3680729	8.92	View
r255tr	CHEMBL3680785	9.03	View
r256tr	CHEMBL3680774	9.06	View
r258tr	CHEMBL3680741	9.07	View
r259tr	CHEMBL3700920	9.1	View
r261tr	CHEMBL3700969	9.1	View
r262tr	CHEMBL3680760	9.11	View
r264tr	CHEMBL3700937	9.15	View
r265tr	CHEMBL3680731	9.21	View
r267tr	CHEMBL3680739	9.24	View
r268tr	CHEMBL3680781	9.24	View
r270tr	CHEMBL3680779	9.28	View
r271tr	CHEMBL3700928	9.3	View
r273tr	CHEMBL3680756	9.35	View
r274tr	CHEMBL3680751	9.37	View
r276tr	CHEMBL3680788	9.39	View
r277tr	CHEMBL3700930	9.4	View
r279tr	CHEMBL3680789	9.42	View
r280tr	CHEMBL3680766	9.43	View
r282tr	CHEMBL3680790	9.46	View
r283tr	CHEMBL3680786	9.47	View
r285tr	CHEMBL3680753	9.49	View
r286tr	CHEMBL3680769	9.49	View
r288tr	CHEMBL3700932	9.52	View
r289tr	CHEMBL3680748	9.57	View
r291tr	CHEMBL3680707	9.58	View
r292tr	CHEMBL3680728	9.59	View
r294tr	CHEMBL3680735	9.6	View
r295tr	CHEMBL3680804	9.6	View
r297tr	CHEMBL3680736	9.64	View
r298tr	CHEMBL3680752	9.66	View
r300tr	CHEMBL3680768	9.66	View
r301tr	CHEMBL3680698	9.68	View
r303tr	CHEMBL3680772	9.7	View
r304tr	CHEMBL3680805	9.7	View
r306tr	CHEMBL3680755	9.74	View
r307tr	CHEMBL3680738	9.77	View
r2ts	CHEMBL3689355	4.91	View
r5ts	CHEMBL3689385	4.93	View
r8ts	CHEMBL3689410	5.17	View
r11ts	CHEMBL3689347	5.21	View
r14ts	CHEMBL3689411	5.25	View
r17ts	CHEMBL3689384	5.36	View
r20ts	CHEMBL3689475	5.39	View
r23ts	CHEMBL3689457	5.44	View
r26ts	CHEMBL3689487	5.45	View
r29ts	CHEMBL3689354	5.55	View
r32ts	CHEMBL3689464	5.57	View
r35ts	CHEMBL3689349	5.64	View
r38ts	CHEMBL3689374	5.71	View
r41ts	CHEMBL3689373	5.76	View
r44ts	CHEMBL3689353	5.79	View
r47ts	CHEMBL3689477	5.83	View
r50ts	CHEMBL3689474	5.91	View
r53ts	CHEMBL3689391	5.98	View
r56ts	CHEMBL3689496	6.14	View
r59ts	CHEMBL3689451	6.17	View
r62ts	CHEMBL3689436	6.19	View
r65ts	CHEMBL373487	6.22	View
r68ts	CHEMBL3689449	6.23	View
r71ts	CHEMBL3689494	6.27	View
r74ts	CHEMBL3689396	6.33	View
r77ts	CHEMBL3689506	6.42	View
r80ts	CHEMBL3689345	6.45	View
r83ts	CHEMBL3689367	6.48	View
r86ts	CHEMBL3689481	6.49	View
r89ts	CHEMBL3689435	6.55	View
r92ts	CHEMBL3689504	6.56	View
r95ts	CHEMBL3689364	6.6	View
r98ts	CHEMBL3689407	6.63	View
r101ts	CHEMBL3689404	6.65	View
r104ts	CHEMBL3689398	6.71	View
r107ts	CHEMBL3689444	6.76	View
r110ts	CHEMBL3689420	6.79	View
r113ts	CHEMBL3689388	6.81	View
r116ts	CHEMBL597127	6.85	View
r119ts	CHEMBL3689395	6.88	View
r122ts	CHEMBL3689443	6.97	View
r125ts	CHEMBL3689375	7.06	View
r128ts	CHEMBL3689413	7.1	View
r131ts	CHEMBL3689470	7.13	View
r134ts	CHEMBL3689415	7.14	View
r137ts	CHEMBL3689446	7.16	View
r140ts	CHEMBL3689433	7.2	View
r143ts	CHEMBL571948	7.24	View
r146ts	CHEMBL3689399	7.32	View
r149ts	CHEMBL3680706	7.35	View
r152ts	CHEMBL3700923	7.36	View
r155ts	CHEMBL3680783	7.4	View
r158ts	CHEMBL3680703	7.43	View
r161ts	CHEMBL3680802	7.47	View
r164ts	CHEMBL3704388	7.5	View
r167ts	CHEMBL3689421	7.52	View
r170ts	CHEMBL3689429	7.53	View
r173ts	CHEMBL3704385	7.57	View
r176ts	CHEMBL3680702	7.6	View
r179ts	CHEMBL3700914	7.64	View
r182ts	CHEMBL3680744	7.77	View
r185ts	CHEMBL3689393	7.82	View
r188ts	CHEMBL3700964	7.89	View
r191ts	CHEMBL3704390	7.92	View
r194ts	CHEMBL3680763	7.96	View
r197ts	CHEMBL3680717	8	View
r200ts	CHEMBL3680697	8.01	View
r203ts	CHEMBL3700941	8.06	View
r206ts	CHEMBL3680725	8.09	View
r209ts	CHEMBL3704373	8.1	View
r212ts	CHEMBL3704372	8.16	View
r215ts	CHEMBL3700982	8.17	View
r218ts	CHEMBL3700922	8.24	View
r221ts	CHEMBL3680721	8.31	View
r224ts	CHEMBL3680776	8.36	View
r227ts	CHEMBL3700935	8.4	View
r230ts	CHEMBL3680806	8.43	View
r233ts	CHEMBL3700980	8.54	View
r236ts	CHEMBL3680711	8.64	View
r239ts	CHEMBL3700965	8.68	View
r242ts	CHEMBL3700968	8.7	View
r245ts	CHEMBL3700977	8.72	View
r248ts	CHEMBL3680801	8.8	View
r251ts	CHEMBL3700966	8.89	View
r254ts	CHEMBL3700919	9	View
r257ts	CHEMBL3680792	9.06	View
r260ts	CHEMBL3700924	9.1	View
r263ts	CHEMBL3680778	9.14	View
r266ts	CHEMBL3700934	9.22	View
r269ts	CHEMBL3680696	9.28	View
r272ts	CHEMBL3680727	9.35	View
r275ts	CHEMBL3680784	9.37	View
r278ts	CHEMBL3700917	9.41	View
r281ts	CHEMBL3680787	9.43	View
r284ts	CHEMBL3680775	9.48	View
r287ts	CHEMBL3700926	9.52	View
r290ts	CHEMBL3680765	9.57	View
r293ts	CHEMBL3680740	9.59	View
r296ts	CHEMBL3680771	9.62	View
r299ts	CHEMBL3680759	9.66	View
r302ts	CHEMBL3680773	9.68	View
r305ts	CHEMBL3680767	9.71	View

10967/270 - QDB Compounds

QsarDB Repository

Search

Browse

All of QsarDB

This Collection

My Account