Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1/2' and Ligand = 'BDBM50525584'   

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 1/2 (Homo sapiens (Human))	BDBM50525584 (CHEMBL4453941) Show SMILES CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of ROCK (unknown origin) using Myelin Basic Protein as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid s...				ACS Med Chem Lett 10: 1134-1139 (2019) Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR
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