BDBM50175087 (S,Z)-3-(1-(3-methoxyphenylamino)-2-nitrovinylamino)-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-2-one::CHEMBL382917

SMILES: COc1cccc(NC(C[N+]([O-])=O)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1

InChI Key: InChIKey=PDZOCXBUOAQUKJ-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 = 50175087   

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))	BDBM50175087 ((S,Z)-3-(1-(3-methoxyphenylamino)-2-nitrovinylamin...) Show SMILES COc1cccc(NC(C[N+]([O-])=O)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |w:8.7| Show InChI InChI=1S/C21H29N5O5/c1-31-17-8-6-7-16(13-17)22-19(14-26(29)30)23-18-9-2-3-12-25(21(18)28)15-20(27)24-10-4-5-11-24/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23)/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	6.70E+3	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