Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50072671'   

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))	BDBM50072671 (CHEMBL3410055) Show SMILES CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26ClFN6O/c1-15-16(2)30-24-22(15)23(28-14-29-24)17-5-10-21(20(27)13-17)31-25(34)33(12-11-32(3)4)19-8-6-18(26)7-9-19/h5-10,13-14H,11-12H2,1-4H3,(H,31,34)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
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