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PubMed code 12141869

Compile data set for download or QSAR
Found 2 hits 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...)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assay


J Nat Prod 65: 1037-8 (2002)


BindingDB Entry DOI: 10.7270/Q22N521Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50242321
PNG
(Agonodepside A | CHEMBL454588)
Show SMILES C\C=C(/C)c1cc(O)c(C)c(OC(=O)c2c(O)c(C)c(O)cc2\C(C)=C\C)c1
Show InChI InChI=1S/C23H26O5/c1-7-12(3)16-9-18(24)14(5)20(10-16)28-23(27)21-17(13(4)8-2)11-19(25)15(6)22(21)26/h7-11,24-26H,1-6H3/b12-7+,13-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Institute of Molecular and Cell Biology

Curated by ChEMBL


Assay Description
inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assay


J Nat Prod 65: 1037-8 (2002)


BindingDB Entry DOI: 10.7270/Q22N521Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%