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BDBM15700 1-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide::Pyrrolidine Carboxamide Compound 3f

SMILES: Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)C1)c1ccc(Br)cc1

InChI Key: InChIKey=BQCINLUMGMJMBK-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15700   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM15700
PNG
(1-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-5-ox...)
Show SMILES Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)C1)c1ccc(Br)cc1
Show InChI InChI=1/C18H16BrClN2O2/c1-11-15(20)3-2-4-16(11)21-18(24)12-9-17(23)22(10-12)14-7-5-13(19)6-8-14/h2-8,12H,9-10H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of California 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
3D Structure (docked)