BDBM50175096 (S,Z)-3-(1-(4-methoxy-3-methylphenylamino)-2-nitrovinylamino)-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-2-one::CHEMBL197708

SMILES: COc1ccc(NC(C[N+]([O-])=O)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1C

InChI Key: InChIKey=RMRXLRDQNHFGPT-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 = 50175096   

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))	BDBM50175096 ((S,Z)-3-(1-(4-methoxy-3-methylphenylamino)-2-nitro...) Show SMILES COc1ccc(NC(C[N+]([O-])=O)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1C |w:7.6| Show InChI InChI=1S/C22H31N5O5/c1-16-13-17(8-9-19(16)32-2)23-20(14-27(30)31)24-18-7-3-4-12-26(22(18)29)15-21(28)25-10-5-6-11-25/h8-9,13,18H,3-7,10-12,14-15H2,1-2H3,(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	3.40E+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