Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM197990'   

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 2 (Homo sapiens (Human))	BDBM197990 (US9221767, 76 | US9926282, Example 77) Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 2 (Homo sapiens (Human))	BDBM197990 (US9221767, 76 | US9926282, Example 77) Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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