BDBM50175077 (S,Z)-3-(1-(benzofuran-5-ylamino)-2-nitrovinylamino)-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-2-one::CHEMBL199444

SMILES: [O-][N+](=O)CC(Nc1ccc2occc2c1)=N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O

InChI Key: InChIKey=HBFSTDWIJNWLQC-SFHVURJKSA-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 = 50175077   

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))	BDBM50175077 ((S,Z)-3-(1-(benzofuran-5-ylamino)-2-nitrovinylamin...) Show SMILES [O-][N+](=O)CC(Nc1ccc2occc2c1)=N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |w:4.4| Show InChI InChI=1S/C22H27N5O5/c28-21(25-9-3-4-10-25)15-26-11-2-1-5-18(22(26)29)24-20(14-27(30)31)23-17-6-7-19-16(13-17)8-12-32-19/h6-8,12-13,18H,1-5,9-11,14-15H2,(H,23,24)/t18-/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	539	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
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