Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM252164'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM252164 (US9458110, 236) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1 Show InChI InChI=1S/C23H24N4O3/c1-30-21-10-18(7-8-20(21)19-13-26-27-14-19)23(29)25-12-16-3-2-4-17(9-16)22(28)24-11-15-5-6-15/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,24,28)(H,25,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.79	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US9458110 (2016) BindingDB Entry DOI: 10.7270/Q22V2F2W
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