BDBM50085403 6-Chloro-benzo[b]thiophene-2-carboxylic acid [3-(5-carbamimidoyl-2-hydroxy-phenyl)-propyl]-amide::CHEMBL70660

SMILES: NC(=N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1

InChI Key: InChIKey=CQCFAZNDHSUIBD-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 = 50085403   

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 X (Homo sapiens (Human))	BDBM50085403 (6-Chloro-benzo[b]thiophene-2-carboxylic acid [3-(5...) Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1 Show InChI InChI=1S/C19H18ClN3O2S/c20-14-5-3-12-9-17(26-16(12)10-14)19(25)23-7-1-2-11-8-13(18(21)22)4-6-15(11)24/h3-6,8-10,24H,1-2,7H2,(H3,21,22)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085403 (6-Chloro-benzo[b]thiophene-2-carboxylic acid [3-(5...) Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1 Show InChI InChI=1S/C19H18ClN3O2S/c20-14-5-3-12-9-17(26-16(12)10-14)19(25)23-7-1-2-11-8-13(18(21)22)4-6-15(11)24/h3-6,8-10,24H,1-2,7H2,(H3,21,22)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair