BDBM50175078 (S,Z)-3-(1-(2-methylbenzofuran-5-ylamino)-3-oxo-3-(thiazol-2-yl)prop-1-enylamino)-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-2-one::CHEMBL197542

SMILES: Cc1cc2cc(ccc2o1)N=C(CC(=O)c1nccs1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O

InChI Key: InChIKey=MHHDBTBZTNESPR-NRFANRHFSA-N

Data: 1 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 1 hit for monomerid = 50175078   

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))	BDBM50175078 ((S,Z)-3-(1-(2-methylbenzofuran-5-ylamino)-3-oxo-3-...) Show SMILES Cc1cc2cc(ccc2o1)N=C(CC(=O)c1nccs1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |w:10.11| Show InChI InChI=1S/C27H31N5O4S/c1-18-14-19-15-20(7-8-23(19)36-18)29-24(16-22(33)26-28-9-13-37-26)30-21-6-2-3-12-32(27(21)35)17-25(34)31-10-4-5-11-31/h7-9,13-15,21H,2-6,10-12,16-17H2,1H3,(H,29,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human FXa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair