BDBM50261844 (S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-3-methoxybenzamide::CHEMBL469213

SMILES: COc1cccc(c1)C(=O)NC(Nc1cccc(C)c1)=N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O

InChI Key: InChIKey=CWUPCRHTFHKDJM-DEOSSOPVSA-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 = 50261844   

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))	BDBM50261844 ((S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-...) Show SMILES COc1cccc(c1)C(=O)NC(Nc1cccc(C)c1)=N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:11.12| Show InChI InChI=1S/C28H35N5O4/c1-20-9-7-11-22(17-20)29-28(31-26(35)21-10-8-12-23(18-21)37-2)30-24-13-3-4-16-33(27(24)36)19-25(34)32-14-5-6-15-32/h7-12,17-18,24H,3-6,13-16,19H2,1-2H3,(H2,29,30,31,35)/t24-/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	276	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