BDBM50261790 (S)-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide::CHEMBL468351

SMILES: COc1ccc(NC(NC(=O)c2ccccc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1

InChI Key: InChIKey=GYCDCNSLOYHGLU-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 = 50261790   

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))	BDBM50261790 ((S)-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(py...) Show SMILES COc1ccc(NC(NC(=O)c2ccccc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1 |r,w:7.6| Show InChI InChI=1S/C27H33N5O4/c1-36-22-14-12-21(13-15-22)28-27(30-25(34)20-9-3-2-4-10-20)29-23-11-5-6-18-32(26(23)35)19-24(33)31-16-7-8-17-31/h2-4,9-10,12-15,23H,5-8,11,16-19H2,1H3,(H2,28,29,30,34)/t23-/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	246	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