Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50463492'   

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 (Homo sapiens (Human))	BDBM50463492 (CHEMBL4241305) Show SMILES CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C21H21N5O3S2/c1-2-9-31(28,29)26-15-6-3-5-14(10-15)11-19(27)25-21-24-18(13-30-21)17-12-23-20-16(17)7-4-8-22-20/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,22,23)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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 ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...				Bioorg Med Chem Lett 28: 2622-2626 (2018) Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX
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