BDBM50123416 ((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid ethyl ester::CHEMBL152881

SMILES: CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1

InChI Key: InChIKey=FAISDMZUGCBUBT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50123416   

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))	BDBM50123416 (((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...) Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to factor Xa				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Trypsin II (Rattus norvegicus)	BDBM50123416 (((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...) Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair