BDBM15695 N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide::Pyrrolidine Carboxamide Compound 3a

SMILES: Clc1cccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)c1

InChI Key: InChIKey=CMNQHDYAXMXRDF-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 15695   

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
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15695 (N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-car...) Show SMILES Clc1cccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)c1 Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)