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SMILES: CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC2OB(O)c3ccccc23)n(C)n1

InChI Key: InChIKey=HWIWDNTWUHVUPK-MHLARBDGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448839   
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-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50448839
PNG
(CHEMBL3125246)
Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC2OB(O)c3ccccc23)n(C)n1 |r|
Show InChI InChI=1S/C29H30BN5O6/c1-3-17-12-23(34(2)33-17)28(37)32-18-13-24(27(36)31-14-26-20-9-4-6-10-22(20)30(39)41-26)35(15-18)29(38)21-16-40-25-11-7-5-8-19(21)25/h4-12,16,18,24,26,39H,3,13-15H2,1-2H3,(H,31,36)(H,32,37)/t18-,24+,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/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