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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50297857   
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 3A4


(Homo sapiens (Human))
BDBM50297857
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
Show InChI InChI=1S/C25H31FN4O/c26-21-7-5-20(6-8-21)18-30-24-4-2-1-3-23(24)28-25(30)29-13-9-22(10-14-29)27-17-19-11-15-31-16-12-19/h1-8,19,22,27H,9-18H2
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50297857
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
Show InChI InChI=1S/C25H31FN4O/c26-21-7-5-20(6-8-21)18-30-24-4-2-1-3-23(24)28-25(30)29-13-9-22(10-14-29)27-17-19-11-15-31-16-12-19/h1-8,19,22,27H,9-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair