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BDBM15681 N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide::Pyrrolidine Carboxamide Compound d15

SMILES: COc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1

InChI Key: InChIKey=GUUBBZUBDARKET-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15681   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM15681
PNG
(N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyr...)
Show SMILES COc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
Show InChI InChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/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