BDBM50262350 (S)-1-benzoyl-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)piperidine-4-carboxamide::CHEMBL443648

SMILES: COc1ccc(NC(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1

InChI Key: InChIKey=ZTRCTEIEWNFNPY-NDEPHWFRSA-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 = 50262350   

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))	BDBM50262350 ((S)-1-benzoyl-N-((4-methoxyphenylamino)(2-oxo-1-(2...) Show SMILES COc1ccc(NC(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)=N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1 |r,w:7.6| Show InChI InChI=1S/C33H42N6O5/c1-44-27-14-12-26(13-15-27)34-33(35-28-11-5-6-20-39(32(28)43)23-29(40)37-18-7-8-19-37)36-30(41)24-16-21-38(22-17-24)31(42)25-9-3-2-4-10-25/h2-4,9-10,12-15,24,28H,5-8,11,16-23H2,1H3,(H2,34,35,36,41)/t28-/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	506	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