Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM464353'   

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))	BDBM464353 (Preparation of 3-(4-(1H-pyrazol-4-yl)phenyl)-1-(3-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H31N5O3/c1-34-25-4-2-3-20(13-25)16-32-26(33)31(23-7-5-21(6-8-23)22-14-28-29-15-22)19-27(32)9-11-30(12-10-27)24-17-35-18-24/h2-8,13-15,24H,9-12,16-19H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	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 US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
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