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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50448865   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50448865
PNG
(CHEMBL3125277)
Show SMILES CCc1cc(C(=O)N[C@@H]2CCN(C2)C(=O)c2coc3ccccc23)n(C)n1 |r|
Show InChI InChI=1S/C20H22N4O3/c1-3-13-10-17(23(2)22-13)19(25)21-14-8-9-24(11-14)20(26)16-12-27-18-7-5-4-6-15(16)18/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H,21,25)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...

J Med Chem 57: 1276-88 (2014)


Article DOI: 10.1021/jm401326j
BindingDB Entry DOI: 10.7270/Q2NP25XB
More data for this
Ligand-Target Pair