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PDB code 5LIX

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits 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
Aldo-keto reductase family member 1B10 (AKR1B10)

  (314/316 > 99%)
(Homo sapiens (Human))
BDBM200220
PNG
(2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)

  (316/316 = 100%)
(Homo sapiens (Human))
BDBM200220
PNG
(2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)

  (314/316 > 99%)
(Homo sapiens (Human))
BDBM200220
PNG
(2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output