BDBM50463488 CHEMBL4247780

SMILES: COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc3[nH]ccc23)c1

InChI Key: InChIKey=ASOFRFMFCSKIIT-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463488   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50463488 (CHEMBL4247780) Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C19H16N4O2S/c1-25-13-4-2-3-12(9-13)10-17(24)23-19-22-16(11-26-19)14-5-7-20-18-15(14)6-8-21-18/h2-9,11H,10H2,1H3,(H,20,21)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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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