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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50235215   
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 1B1


(Homo sapiens (Human))
BDBM50235215
PNG
(CHEMBL4062213)
Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
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Article
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n/an/a 5.60n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111938
BindingDB Entry DOI: 10.7270/Q2SX6HMM
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50235215
PNG
(CHEMBL4062213)
Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
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Article
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n/an/a 12n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111938
BindingDB Entry DOI: 10.7270/Q2SX6HMM
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235215
PNG
(CHEMBL4062213)
Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.020
BindingDB Entry DOI: 10.7270/Q2PC34PC
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50235215
PNG
(CHEMBL4062213)
Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111938
BindingDB Entry DOI: 10.7270/Q2SX6HMM
More data for this
Ligand-Target Pair