BDBM50319024 3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-yloxy)phenol::CHEMBL1084947

SMILES: Cc1c(sc2ccc(Oc3cccc(O)c3)cc12)-c1ccnc(N)n1

InChI Key: InChIKey=ZJNYSQMTPKBBCH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50319024   

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))	BDBM50319024 (3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...) Show SMILES Cc1c(sc2ccc(Oc3cccc(O)c3)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C19H15N3O2S/c1-11-15-10-14(24-13-4-2-3-12(23)9-13)5-6-17(15)25-18(11)16-7-8-21-19(20)22-16/h2-10,23H,1H3,(H2,20,21,22)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human GTM3 cells by impedance assay				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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319024 (3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...) Show SMILES Cc1c(sc2ccc(Oc3cccc(O)c3)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C19H15N3O2S/c1-11-15-10-14(24-13-4-2-3-12(23)9-13)5-6-17(15)25-18(11)16-7-8-21-19(20)22-16/h2-10,23H,1H3,(H2,20,21,22)	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	360	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