BDBM50319007 4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-N-methylpyrimidin-2-amine::CHEMBL1086078

SMILES: CNc1nccc(n1)-c1sc2ccc(Cl)cc2c1C

InChI Key: InChIKey=MRCIKHKLONOPCA-UHFFFAOYSA-N

Data: 1 IC50

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 = 50319007   

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))	BDBM50319007 (4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-N-methy...) Show SMILES CNc1nccc(n1)-c1sc2ccc(Cl)cc2c1C Show InChI InChI=1S/C14H12ClN3S/c1-8-10-7-9(15)3-4-12(10)19-13(8)11-5-6-17-14(16-2)18-11/h3-7H,1-2H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair