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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM26482'   
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 2D6


(Homo sapiens (Human))
BDBM26482
PNG
(4-Methylaminomethyl-7-methoxycoumarin | 7-methoxy-...)
Show SMILES CNCc1cc(=O)oc2cc(OC)ccc12
Show InChI InChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 53: 7129-39 (2010)


Article DOI: 10.1021/jm100832d
BindingDB Entry DOI: 10.7270/Q2CJ8DQZ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM26482
PNG
(4-Methylaminomethyl-7-methoxycoumarin | 7-methoxy-...)
Show SMILES CNCc1cc(=O)oc2cc(OC)ccc12
Show InChI InChI=1S/C12H13NO3/c1-13-7-8-5-12(14)16-11-6-9(15-2)3-4-10(8)11/h3-6,13H,7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair