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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50443881   
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 1A2


(Homo sapiens (Human))
BDBM50443881
PNG
(CHEMBL3091531)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1
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PC cid
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2


Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50443881
PNG
(CHEMBL3091531)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.21E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6


Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair