BDBM50307342 6-(3-Methoxy-benzyloxy)-benzo[b]thiophene-2-carboxamidine::CHEMBL599627

SMILES: COc1cccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)c1

InChI Key: InChIKey=NHKAFDQMSZHTJW-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 = 50307342   

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))	BDBM50307342 (6-(3-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...) Show SMILES COc1cccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)c1 Show InChI InChI=1S/C23H20N2O2S/c1-26-19-6-2-4-15(10-19)14-27-20-7-3-5-16(12-20)17-8-9-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(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))	BDBM50307342 (6-(3-Methoxy-benzyloxy)-benzo[b]thiophene-2-carbox...) Show SMILES COc1cccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)c1 Show InChI InChI=1S/C23H20N2O2S/c1-26-19-6-2-4-15(10-19)14-27-20-7-3-5-16(12-20)17-8-9-21-18(11-17)13-22(28-21)23(24)25/h2-13H,14H2,1H3,(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	4.30E+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