Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM380206'   

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))	BDBM380206 (5-(adamantan-1-yl)-1- methyl-N-[4-(4-oxo-3,4- dihy...) Show SMILES Cn1nc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |TLB:13:8:15:12.14.11,13:12:15:9.8.7,THB:7:6:9.8.13:11,7:8:6.15.14:11,5:6:9.8.13:11| Show InChI InChI=1S/C29H29N5O2/c1-34-25(29-14-17-10-18(15-29)12-19(11-17)16-29)13-24(33-34)28(36)30-21-8-6-20(7-9-21)26-22-4-2-3-5-23(22)27(35)32-31-26/h2-9,13,17-19H,10-12,14-16H2,1H3,(H,30,36)(H,32,35)	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
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