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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: Q16678   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/an/an/a 500n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236955
PNG
(CHEMBL4059677)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+
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n/an/an/an/a 1.00E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.02 u...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/an/an/a 3.30E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50236947
PNG
(CHEMBL4092737)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
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n/an/an/an/a 8.30E+3n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/an/an/a 3.50E+4n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/an/an/a 4.00E+4n/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.016 ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)