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PubMed code 26125082

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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50377937
PNG
(PROTOPINE)
Show SMILES CN1CCc2cc3OCOc3cc2C(=O)Cc2cc3OCOc3cc2C1
Show InChI InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
78n/an/an/an/an/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substrate


J Med Chem 58: 8360-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00417
BindingDB Entry DOI: 10.7270/Q29Z96QC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50130203
PNG
(ALLOCRYPTOPINE | Allocryptopine | Allocrytopine | ...)
Show SMILES COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC
Show InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
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KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
122n/an/an/an/an/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substrate


J Med Chem 58: 8360-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00417
BindingDB Entry DOI: 10.7270/Q29Z96QC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%