BDBM50123414 ((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid::CHEMBL423959

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O

InChI Key: InChIKey=WOTDACOLCVTNCC-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 = 50123414   

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))	BDBM50123414 (((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C25H29N5O5S2/c1-16(26)29-10-8-21(9-11-29)35-20-5-3-19(4-6-20)30(37(33,34)15-24(31)32)14-22-13-18-12-17(25(27)28)2-7-23(18)36-22/h2-7,12-13,21,26H,8-11,14-15H2,1H3,(H3,27,28)(H,31,32)	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	3	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)	BDBM50123414 (((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C25H29N5O5S2/c1-16(26)29-10-8-21(9-11-29)35-20-5-3-19(4-6-20)30(37(33,34)15-24(31)32)14-22-13-18-12-17(25(27)28)2-7-23(18)36-22/h2-7,12-13,21,26H,8-11,14-15H2,1H3,(H3,27,28)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	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