BindingDB logo
myBDB logout

PubMed code 17560106

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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...)		BDBM50215051
PNG
(4-phenoxyBAD | CHEMBL250087)
Show SMILES NC(=O)c1cc(ccc1Oc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |w:21.23,25.27|
Show InChI InChI=1S/C28H32N6O15P2/c29-25-19-27(32-11-31-25)34(12-33-19)28-23(38)21(36)18(48-28)10-45-51(42,43)49-50(40,41)44-9-17-20(35)22(37)24(47-17)13-6-7-16(15(8-13)26(30)39)46-14-4-2-1-3-5-14/h1-8,11-12,17-18,20-24,28,35-38H,9-10H2,(H2,30,39)(H,40,41)(H,42,43)(H2,29,31,32)/t17-,18-,20-,21-,22-,23-,24+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis InhA

Bioorg Med Chem Lett 17: 4588-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.084
BindingDB Entry DOI: 10.7270/Q2CJ8D67
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
* indicates data uncertainty>20%