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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'wahajuddin' and Initial = 'na'   
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
Cytochrome P450 2C11


(Rattus norvegicus)
BDBM50426305
PNG
(ARTEMOTIL)
Show SMILES CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 |r|
Show InChI InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Division of Medicinal& Process Chemistry, Division of Parasitology, Division of Pharmacokinetics and Metabolism, and Sophisticated Analytical Instrument Facility, Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C11 in rat liver microsome using diclofenac as substrate by HPLC-PDA analysis


ACS Med Chem Lett 4: 165-9 (2013)


Article DOI: 10.1021/ml300188t
BindingDB Entry DOI: 10.7270/Q2V1264R
More data for this
Ligand-Target Pair
Cytochrome P450 2D4


(Rattus norvegicus)
BDBM50426305
PNG
(ARTEMOTIL)
Show SMILES CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 |r|
Show InChI InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Division of Medicinal& Process Chemistry, Division of Parasitology, Division of Pharmacokinetics and Metabolism, and Sophisticated Analytical Instrument Facility, Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D4 in rat liver microsome using dextromethorphan as substrate by HPLC-PDA analysis


ACS Med Chem Lett 4: 165-9 (2013)


Article DOI: 10.1021/ml300188t
BindingDB Entry DOI: 10.7270/Q2V1264R
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Rattus norvegicus)
BDBM50426305
PNG
(ARTEMOTIL)
Show SMILES CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 |r|
Show InChI InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
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KEGG

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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Division of Medicinal& Process Chemistry, Division of Parasitology, Division of Pharmacokinetics and Metabolism, and Sophisticated Analytical Instrument Facility, Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in rat liver microsome using phenacetin as substrate by HPLC-PDA analysis


ACS Med Chem Lett 4: 165-9 (2013)


Article DOI: 10.1021/ml300188t
BindingDB Entry DOI: 10.7270/Q2V1264R
More data for this
Ligand-Target Pair