BDBM50262344 (S)-4-fluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide::CHEMBL513334

SMILES: COc1ccc(NC(NC(=O)c2ccc(F)cc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1

InChI Key: InChIKey=DCAIWRYENJORDJ-QHCPKHFHSA-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 = 50262344   

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))	BDBM50262344 ((S)-4-fluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-...) Show SMILES COc1ccc(NC(NC(=O)c2ccc(F)cc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1 |r,w:7.6| Show InChI InChI=1S/C27H32FN5O4/c1-37-22-13-11-21(12-14-22)29-27(31-25(35)19-7-9-20(28)10-8-19)30-23-6-2-3-17-33(26(23)36)18-24(34)32-15-4-5-16-32/h7-14,23H,2-6,15-18H2,1H3,(H2,29,30,31,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 4696-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.004 BindingDB Entry DOI: 10.7270/Q2QV3MBT
					More data for this Ligand-Target Pair