BDBM50175082 (S,Z)-diethyl 1-cyano-2-(2-methylbenzofuran-5-ylamino)-2-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)vinylphosphonate::CHEMBL197337

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

InChI Key: InChIKey=LJQVSWGDLOXJPN-LFQPHHBNSA-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 = 50175082   

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))	BDBM50175082 ((S,Z)-diethyl 1-cyano-2-(2-methylbenzofuran-5-ylam...) Show SMILES CCOP(=O)(OCC)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |w:29.31| Show InChI InChI=1S/C28H38N5O6P/c1-4-37-40(36,38-5-2)25(18-29)27(30-22-11-12-24-21(17-22)16-20(3)39-24)31-23-10-6-7-15-33(28(23)35)19-26(34)32-13-8-9-14-32/h11-12,16-17,23,25H,4-10,13-15,19H2,1-3H3,(H,30,31)/t23-,25?/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	658	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