Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM197981'   

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))	BDBM197981 (US9221767, 19 | US9926282, Example 19) Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1 Show InChI InChI=1S/C20H19N3O2/c24-18(21-15-4-3-5-15)12-13-8-10-14(11-9-13)19-16-6-1-2-7-17(16)20(25)23-22-19/h1-2,6-11,15H,3-5,12H2,(H,21,24)(H,23,25)	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	6.48E+3	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))	BDBM197981 (US9221767, 19 | US9926282, Example 19) Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1 Show InChI InChI=1S/C20H19N3O2/c24-18(21-15-4-3-5-15)12-13-8-10-14(11-9-13)19-16-6-1-2-7-17(16)20(25)23-22-19/h1-2,6-11,15H,3-5,12H2,(H,21,24)(H,23,25)	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	2.55E+4	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