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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Cytochrome P450 1B1'   
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)
BDBM50045924
PNG
((E)-3,5-stilbenediol | (E)-5-(2-phenylethenyl)-1,3...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
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KEGG
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Article
PubMed
74.3 -42.3n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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Article
PubMed
177 -40.1n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM50247272
PNG
(5-(4-fluorostyryl)benzene-1,3-diol | CHEMBL451311 ...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C14H11FO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
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Article
PubMed
323 -38.5n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM68279
PNG
(Stilbene, 15f)
Show SMILES Oc1cc(O)cc(\C=C\c2ccoc2)c1
Show InChI InChI=1S/C12H10O3/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-8,13-14H/b2-1+
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Article
PubMed
1.11E+3 -35.4n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM68280
PNG
(Stilbene, 16f)
Show SMILES Oc1cc(O)cc(\C=C\c2ccsc2)c1
Show InChI InChI=1S/C12H10O2S/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-8,13-14H/b2-1+
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UniChem
Article
PubMed
1.18E+3 -35.2n/an/an/an/an/a8.037



University of Tokyo



Assay Description
The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.


Chem Biol 14: 613-21 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.004
BindingDB Entry DOI: 10.7270/Q2S46QDG
More data for this
Ligand-Target Pair