BDBM50319008 4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-N,N-dimethylpyrimidin-2-amine::CHEMBL1083140

SMILES: CN(C)c1nccc(n1)-c1sc2ccc(Cl)cc2c1C

InChI Key: InChIKey=NKSPJZCQSNANGB-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 = 50319008   

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))	BDBM50319008 (4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-N,N-dim...) Show SMILES CN(C)c1nccc(n1)-c1sc2ccc(Cl)cc2c1C Show InChI InChI=1S/C15H14ClN3S/c1-9-11-8-10(16)4-5-13(11)20-14(9)12-6-7-17-15(18-12)19(2)3/h4-8H,1-3H3	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	>1.00E+5	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