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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50448883   
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...)		BDBM50448883
PNG
(CHEMBL3125258)
Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2nccs2)n(C)n1 |r|
Show InChI InChI=1S/C25H26N6O4S/c1-3-15-10-19(30(2)29-15)24(33)28-16-11-20(23(32)27-12-22-26-8-9-36-22)31(13-16)25(34)18-14-35-21-7-5-4-6-17(18)21/h4-10,14,16,20H,3,11-13H2,1-2H3,(H,27,32)(H,28,33)/t16-,20+/m1/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/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