BDBM50307341 6-(4-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxamidine::CHEMBL597575

SMILES: NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(Cl)cc2)c1

InChI Key: InChIKey=NMIDQZURHAQFLL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50307341   

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
Coagulation factor IX (Homo sapiens (Human))	BDBM50307341 (6-(4-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...) Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H17ClN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1465-72 (2010) Article DOI: 10.1021/jm901475e BindingDB Entry DOI: 10.7270/Q22N5372
					More data for this Ligand-Target Pair				3D Structure (docked)
Coagulation factor X (Homo sapiens (Human))	BDBM50307341 (6-(4-Chloro-benzyloxy)-benzo[b]thiophene-2-carboxa...) Show SMILES NC(=N)c1cc2cc(ccc2s1)-c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H17ClN2OS/c23-18-7-4-14(5-8-18)13-26-19-3-1-2-15(11-19)16-6-9-20-17(10-16)12-21(27-20)22(24)25/h1-12H,13H2,(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of factor 10 by amidolytic assay				J Med Chem 53: 1465-72 (2010) Article DOI: 10.1021/jm901475e BindingDB Entry DOI: 10.7270/Q22N5372
					More data for this Ligand-Target Pair