Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50442825'   

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))	BDBM50442825 (CHEMBL2440750) Show SMILES CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F Show InChI InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Amakem N.V. Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay				Bioorg Med Chem Lett 23: 6442-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.040 BindingDB Entry DOI: 10.7270/Q2BC411W
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