Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM197986'   

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))	BDBM197986 (US9221767, 58 | US9926282, Example 58) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C23H20N4O2/c1-27(2)18-13-9-16(10-14-18)22(28)24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(29)26-25-21/h3-14H,1-2H3,(H,24,28)(H,26,29)	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	35	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 US9221767 (2015) BindingDB Entry DOI: 10.7270/Q2JW8CP3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM197986 (US9221767, 58 | US9926282, Example 58) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C23H20N4O2/c1-27(2)18-13-9-16(10-14-18)22(28)24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(29)26-25-21/h3-14H,1-2H3,(H,24,28)(H,26,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					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...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q2445PSQ
					More data for this Ligand-Target Pair