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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50265920   
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))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 1.22E+3n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))
BDBM50265920
PNG
(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 1.05E+4n/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair