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.

217 compounds | Property pIC50expHDAC6: HDAC6 enzyme inhibition [-log(uM)]

ID	Name	pIC50expHDAC6	Details
h0tr	CHEMBL3976630	4.33	View
h1tr	CHEMBL5194067	4.41	View
h3tr	CHEMBL3891306	4.44	View
h4tr	CHEMBL3895630	4.48	View
h6tr	CHEMBL3287017	4.53	View
h7tr	CHEMBL3960542	4.54	View
h9tr	CHEMBL3968125	4.6	View
h10tr	CHEMBL3901200	4.71	View
h12tr	CHEMBL5183909	4.89	View
h13tr	CHEMBL1173445	4.94	View
h15tr	CHEMBL1836142	5	View
h16tr	CHEMBL3287265	5.02	View
h18tr	CHEMBL595227	5.16	View
h19tr	CHEMBL3287260	5.29	View
h21tr	CHEMBL3951849	5.3	View
h22tr	CHEMBL3946072	5.33	View
h24tr	CHEMBL3915126	5.41	View
h25tr	CHEMBL3287008	5.43	View
h27tr	CHEMBL3939675	5.47	View
h28tr	CHEMBL3947397	5.5	View
h30tr	CHEMBL3952593	5.51	View
h31tr	CHEMBL3924138	5.58	View
h33tr	CHEMBL3937174	5.71	View
h34tr	CHEMBL3902539	5.73	View
h36tr	CHEMBL3897044	5.75	View
h37tr	CHEMBL3960364	5.75	View
h39tr	CHEMBL3919167	5.78	View
h40tr	CHEMBL3923995	5.78	View
h42tr	CHEMBL5207734	5.82	View
h43tr	CHEMBL3929797	5.85	View
h45tr	CHEMBL3933987	5.89	View
h46tr	CHEMBL3961083	5.9	View
h48tr	CHEMBL3287250	5.92	View
h49tr	CHEMBL3287022	5.92	View
h51tr	CHEMBL3287251	5.96	View
h52tr	CHEMBL3287023	5.96	View
h54tr	CHEMBL3951347	5.97	View
h55tr	CHEMBL3287263	6.02	View
h57tr	CHEMBL221654	6.03	View
h58tr	CHEMBL3971832	6.06	View
h60tr	CHEMBL5172937	6.07	View
h61tr	CHEMBL3891112	6.11	View
h63tr	CHEMBL3287256	6.13	View
h64tr	CHEMBL3959685	6.16	View
h66tr	CHEMBL1836042	6.21	View
h67tr	CHEMBL3963714	6.22	View
h69tr	CHEMBL3968356	6.25	View
h70tr	CHEMBL3925099	6.25	View
h72tr	CHEMBL3939120	6.3	View
h73tr	CHEMBL3287258	6.3	View
h75tr	CHEMBL3925574	6.33	View
h76tr	CHEMBL3915628	6.33	View
h78tr	CHEMBL4530175	6.33	View
h79tr	CHEMBL5184034	6.34	View
h81tr	CHEMBL4104334	6.41	View
h82tr	CHEMBL3287266	6.42	View
h84tr	CHEMBL5197272	6.44	View
h85tr	CHEMBL5087002	6.45	View
h87tr	CHEMBL3906734	6.48	View
h88tr	CHEMBL146250	6.48	View
h90tr	CHEMBL3935445	6.53	View
h91tr	CHEMBL5205184	6.6	View
h93tr	CHEMBL5187827	6.63	View
h94tr	CHEMBL5208188	6.63	View
h96tr	CHEMBL5426471	6.71	View
h97tr	CHEMBL3947538	6.72	View
h99tr	CHEMBL3287269	6.73	View
h100tr	CHEMBL3968861	6.73	View
h102tr	CHEMBL3287267	6.75	View
h103tr	CHEMBL3287264	6.75	View
h105tr	CHEMBL5174152	6.76	View
h106tr	CHEMBL3287268	6.78	View
h108tr	CHEMBL5188941	6.84	View
h109tr	CHEMBL3939518	6.87	View
h111tr	CHEMBL5200361	6.96	View
h112tr	CHEMBL221655	6.97	View
h114tr	CHEMBL5198893	6.98	View
h115tr	CHEMBL3948298	7.04	View
h117tr	CHEMBL5410667	7.09	View
h118tr	CHEMBL4752015	7.11	View
h120tr	CHEMBL5169915	7.12	View
h121tr	CHEMBL5208182	7.13	View
h123tr	CHEMBL5078976	7.16	View
h124tr	CHEMBL4749226	7.2	View
h126tr	CHEMBL5436596	7.24	View
h127tr	CHEMBL5092694	7.24	View
h129tr	CHEMBL5429362	7.27	View
h130tr	CHEMBL5092272	7.27	View
h132tr	CHEMBL5431600	7.28	View
h133tr	CHEMBL5081920	7.28	View
h135tr	CHEMBL1796689	7.31	View
h136tr	CHEMBL5432519	7.32	View
h138tr	CHEMBL5203278	7.33	View
h139tr	CHEMBL4776969	7.33	View
h141tr	CHEMBL5440733	7.39	View
h142tr	CHEMBL5177971	7.39	View
h144tr	CHEMBL4791832	7.42	View
h145tr	CHEMBL5200063	7.43	View
h147tr	CHEMBL5420058	7.44	View
h148tr	CHEMBL4785327	7.46	View
h150tr	CHEMBL5189990	7.47	View
h151tr	CHEMBL5072502	7.51	View
h153tr	CHEMBL5431676	7.58	View
h154tr	CHEMBL1289931	7.58	View
h156tr	CHEMBL141502	7.67	View
h157tr	CHEMBL5395429	7.68	View
h159tr	CHEMBL3977346	7.7	View
h160tr	CHEMBL5088034	7.71	View
h162tr	CHEMBL5173462	7.72	View
h163tr	CHEMBL5090786	7.72	View
h165tr	CHEMBL5436704	7.79	View
h166tr	CHEMBL5197503	7.8	View
h168tr	CHEMBL5402344	7.84	View
h169tr	CHEMBL5089854	7.86	View
h171tr	CHEMBL4442355	7.89	View
h172tr	CHEMBL5403601	7.95	View
h174tr	CHEMBL4090165	7.96	View
h175tr	CHEMBL5192298	7.98	View
h177tr	CHEMBL3911545	8	View
h178tr	CHEMBL5410777	8	View
h180tr	CHEMBL5173771	8.12	View
h181tr	CHEMBL5418936	8.12	View
h183tr	CHEMBL5180181	8.16	View
h184tr	CHEMBL5422333	8.2	View
h186tr	CHEMBL5440176	8.23	View
h187tr	CHEMBL5410992	8.24	View
h189tr	CHEMBL5424823	8.25	View
h190tr	CHEMBL5435909	8.26	View
h192tr	CHEMBL5394600	8.27	View
h193tr	CHEMBL5191345	8.28	View
h195tr	CHEMBL5408565	8.28	View
h196tr	CHEMBL5420954	8.28	View
h198tr	CHEMBL5171482	8.33	View
h199tr	CHEMBL4568168	8.34	View
h201tr	CHEMBL5395752	8.42	View
h202tr	CHEMBL5171183	8.43	View
h204tr	CHEMBL5414056	8.44	View
h205tr	CHEMBL5410523	8.44	View
h207tr	CHEMBL5413000	8.56	View
h208tr	CHEMBL5416448	8.59	View
h210tr	CHEMBL5197455	8.63	View
h211tr	CHEMBL5175796	8.64	View
h213tr	CHEMBL5208269	8.72	View
h214tr	CHEMBL5185898	8.74	View
h216tr	CHEMBL5189457	8.81	View
h2ts	CHEMBL3914611	4.42	View
h5ts	CHEMBL3950790	4.5	View
h8ts	CHEMBL3943758	4.58	View
h11ts	CHEMBL1173195	4.83	View
h14ts	CHEMBL1836145	4.96	View
h17ts	CHEMBL3923636	5.13	View
h20ts	CHEMBL3287259	5.3	View
h23ts	CHEMBL3287010	5.36	View
h26ts	CHEMBL3934705	5.45	View
h29ts	CHEMBL3936083	5.5	View
h32ts	CHEMBL3943359	5.69	View
h35ts	CHEMBL3976623	5.74	View
h38ts	CHEMBL3287262	5.76	View
h41ts	CHEMBL3960084	5.8	View
h44ts	CHEMBL3287021	5.88	View
h47ts	CHEMBL3287253	5.92	View
h50ts	CHEMBL3942298	5.94	View
h53ts	CHEMBL3287261	5.97	View
h56ts	CHEMBL3287252	6.03	View
h59ts	CHEMBL5172950	6.06	View
h62ts	CHEMBL3287255	6.11	View
h65ts	CHEMBL3287254	6.21	View
h68ts	CHEMBL3933626	6.24	View
h71ts	CHEMBL3909252	6.25	View
h74ts	CHEMBL3930328	6.31	View
h77ts	CHEMBL3287257	6.33	View
h80ts	CHEMBL5195924	6.35	View
h83ts	CHEMBL1836144	6.42	View
h86ts	CHEMBL5407960	6.46	View
h89ts	CHEMBL3891163	6.52	View
h92ts	CHEMBL1289498	6.62	View
h95ts	CHEMBL3953198	6.67	View
h98ts	CHEMBL5181667	6.72	View
h101ts	CHEMBL3984885	6.74	View
h104ts	CHEMBL5189799	6.76	View
h107ts	CHEMBL5402253	6.78	View
h110ts	CHEMBL5192895	6.88	View
h113ts	CHEMBL3903212	6.98	View
h116ts	CHEMBL3968415	7.06	View
h119ts	CHEMBL3919448	7.12	View
h122ts	CHEMBL5180229	7.14	View
h125ts	CHEMBL5191436	7.21	View
h128ts	CHEMBL5423136	7.26	View
h131ts	CHEMBL213934	7.27	View
h134ts	CHEMBL3961271	7.31	View
h137ts	CHEMBL5401609	7.33	View
h140ts	CHEMBL5201672	7.38	View
h143ts	CHEMBL5176749	7.4	View
h146ts	CHEMBL5206738	7.43	View
h149ts	CHEMBL5070312	7.47	View
h152ts	CHEMBL5409321	7.53	View
h155ts	CHEMBL5080111	7.59	View
h158ts	CHEMBL5093258	7.69	View
h161ts	CHEMBL5409830	7.71	View
h164ts	CHEMBL4555936	7.77	View
h167ts	CHEMBL5417760	7.83	View
h170ts	CHEMBL4468802	7.87	View
h173ts	CHEMBL5076794	7.95	View
h176ts	CHEMBL483254	7.98	View
h179ts	CHEMBL5412747	8.06	View
h182ts	CHEMBL5434626	8.13	View
h185ts	CHEMBL4077645	8.22	View
h188ts	CHEMBL5399106	8.25	View
h191ts	CHEMBL5438694	8.26	View
h194ts	CHEMBL5188338	8.28	View
h197ts	CHEMBL5418695	8.28	View
h200ts	CHEMBL5406583	8.36	View
h203ts	CHEMBL5432886	8.43	View
h206ts	CHEMBL5180263	8.56	View
h209ts	CHEMBL5169341	8.61	View
h212ts	CHEMBL5174843	8.68	View
h215ts	CHEMBL5206239	8.77	View

10967/270 - QDB Compounds

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