BDBM50175081 (S,Z)-ethyl 2-cyano-3-(2-methylbenzofuran-5-ylamino)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)acrylate::CHEMBL196815

SMILES: CCOC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1

InChI Key: InChIKey=BQDVYJOTWKHMQX-KEKNWZKVSA-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 = 50175081   

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))	BDBM50175081 ((S,Z)-ethyl 2-cyano-3-(2-methylbenzofuran-5-ylamin...) Show SMILES CCOC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |w:26.28| Show InChI InChI=1S/C27H33N5O5/c1-3-36-27(35)21(16-28)25(29-20-9-10-23-19(15-20)14-18(2)37-23)30-22-8-4-5-13-32(26(22)34)17-24(33)31-11-6-7-12-31/h9-10,14-15,21-22H,3-8,11-13,17H2,1-2H3,(H,29,30)/t21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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