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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 1A1


(Rattus norvegicus)
BDBM50027779
PNG
(4-Ethynyl Pyrene | CHEMBL1908231)
Show SMILES C#Cc1cc2cccc3ccc4cccc1c4c23
Show InChI InChI=1S/C18H10/c1-2-12-11-15-7-3-5-13-9-10-14-6-4-8-16(12)18(14)17(13)15/h1,3-11H
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50214612
PNG
(2-(1-propynyl)phenanthrene | CHEMBL253346)
Show SMILES CC#Cc1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C17H12/c1-2-5-13-8-11-17-15(12-13)10-9-14-6-3-4-7-16(14)17/h3-4,6-12H,1H3
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027778
PNG
(1-Ethynyl Pyrene | CHEMBL1908230)
Show SMILES C#Cc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
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20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027782
PNG
(3-Ethynyl Phenanthrene | CHEMBL1908226)
Show SMILES C#Cc1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C16H10/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h1,3-11H
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90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027785
PNG
(2-Ethynyl Phenanthrene | CHEMBL1908225)
Show SMILES C#Cc1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C16H10/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h1,3-11H
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250n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027776
PNG
(4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...)
Show SMILES C#Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
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270n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027793
PNG
(CHEMBL3215311)
Show SMILES CC#Cc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C19H12/c1-2-4-13-7-8-16-10-9-14-5-3-6-15-11-12-17(13)19(16)18(14)15/h3,5-12H,1H3
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300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027792
PNG
(CHEMBL1908223)
Show SMILES CC#CCCCc1ccccc1
Show InChI InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,4,6,9H2,1H3
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540n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027799
PNG
(CHEMBL1908215 | N-(2-Pnitrophenethyl) Dichloro Ace...)
Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)C(Cl)Cl)cc1
Show InChI InChI=1S/C10H10Cl2N2O3/c11-9(12)10(15)13-6-5-7-1-3-8(4-2-7)14(16)17/h1-4,9H,5-6H2,(H,13,15)
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2.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by ethoxyresorufin O-deethylation warfarin R-6 and R-8 hydroxylation


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50027788
PNG
(4-Ethynyl Acetanilide | CHEMBL1908220)
Show SMILES CC(=O)Nc1ccc(cc1)C#C
Show InChI InChI=1S/C10H9NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h1,4-7H,2H3,(H,11,12)
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8.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Curr Drug Metab 6: 413-54 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380109
PNG
(CHEMBL2013099)
Show SMILES Nn1c(NN=C2C(=O)Nc3ccccc23)nnc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C18H15N7O2/c19-25-17(27)14(10-11-6-2-1-3-7-11)21-23-18(25)24-22-15-12-8-4-5-9-13(12)20-16(15)26/h1-9H,10,19H2,(H,23,24)(H,20,22,26)
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n/an/a 5.42n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380110
PNG
(CHEMBL2013100)
Show SMILES COc1ccc(Cc2nnc(NN=C3C(=O)Nc4ccccc34)n(N)c2=O)cc1
Show InChI InChI=1S/C19H17N7O3/c1-29-12-8-6-11(7-9-12)10-15-18(28)26(20)19(24-22-15)25-23-16-13-4-2-3-5-14(13)21-17(16)27/h2-9H,10,20H2,1H3,(H,24,25)(H,21,23,27)
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n/an/a 5.53n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380107
PNG
(CHEMBL2013097)
Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN6O3/c1-14(30)24-27-20(32)19(13-16-7-5-4-6-8-16)25-29-21(27)26-28(15(2)31)22(29,3)17-9-11-18(23)12-10-17/h4-12H,13H2,1-3H3,(H,24,30)
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n/an/a 5.69n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380108
PNG
(CHEMBL2013098)
Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H24N6O3/c1-15-10-12-19(13-11-15)23(4)28(17(3)31)26-22-27(24-16(2)30)21(32)20(25-29(22)23)14-18-8-6-5-7-9-18/h5-13H,14H2,1-4H3,(H,24,30)
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n/an/a 6.62n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380111
PNG
(CHEMBL2013101)
Show SMILES CC(=O)N(N1C2=NN(C(C)=O)C3(N2N=C(Cc2ccccc2)C1=O)C(=O)N(C(C)=O)c1ccccc31)C(C)=O
Show InChI InChI=1S/C26H23N7O6/c1-15(34)29-22-13-9-8-12-20(22)26(24(29)39)32(18(4)37)28-25-31(30(16(2)35)17(3)36)23(38)21(27-33(25)26)14-19-10-6-5-7-11-19/h5-13H,14H2,1-4H3
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n/an/a 7.74n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380106
PNG
(CHEMBL2013096)
Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C3(C)c3ccccc3)N(NC(C)=O)C2=O)cc1
Show InChI InChI=1S/C23H24N6O4/c1-15(30)24-27-21(32)20(14-17-10-12-19(33-4)13-11-17)25-29-22(27)26-28(16(2)31)23(29,3)18-8-6-5-7-9-18/h5-13H,14H2,1-4H3,(H,24,30)
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n/an/a 8.36n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380103
PNG
(CHEMBL2013093)
Show SMILES COc1ccc(cc1)C1N(N=C2N1N=C(Cc1ccccc1)C(=O)N2N(C(C)=O)C(C)=O)C(C)=O
Show InChI InChI=1S/C24H24N6O5/c1-15(31)27-22(19-10-12-20(35-4)13-11-19)28-24(26-27)30(29(16(2)32)17(3)33)23(34)21(25-28)14-18-8-6-5-7-9-18/h5-13,22H,14H2,1-4H3
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n/an/a 9.71n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380104
PNG
(CHEMBL2013094)
Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C3(C)c3ccc(C)cc3)N(N(C(C)=O)C(C)=O)C2=O)cc1
Show InChI InChI=1S/C26H28N6O5/c1-16-7-11-21(12-8-16)26(5)31(19(4)35)28-25-30(29(17(2)33)18(3)34)24(36)23(27-32(25)26)15-20-9-13-22(37-6)14-10-20/h7-14H,15H2,1-6H3
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n/an/a 10.4n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380105
PNG
(CHEMBL2013095)
Show SMILES CC(=O)NN1C2=NN(C(C)=O)C(C)(N2N=C(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H22N6O3/c1-15(29)23-26-20(31)19(14-17-10-6-4-7-11-17)24-28-21(26)25-27(16(2)30)22(28,3)18-12-8-5-9-13-18/h4-13H,14H2,1-3H3,(H,23,29)
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n/an/a 13.2n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380101
PNG
(CHEMBL2013091)
Show SMILES CC(=O)N(N1C2=NN(C(N2N=C(Cc2ccccc2)C1=O)c1ccccc1)C(C)=O)C(C)=O
Show InChI InChI=1S/C23H22N6O4/c1-15(30)26-21(19-12-8-5-9-13-19)27-23(25-26)29(28(16(2)31)17(3)32)22(33)20(24-27)14-18-10-6-4-7-11-18/h4-13,21H,14H2,1-3H3
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n/an/a 24.2n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380112
PNG
(CHEMBL2013102)
Show SMILES COc1ccc(CC2=NN3C(=NN(C(C)=O)C33C(=O)N(C(C)=O)c4ccccc34)N(N(C(C)=O)C(C)=O)C2=O)cc1
Show InChI InChI=1S/C27H25N7O7/c1-15(35)30-23-9-7-6-8-21(23)27(25(30)40)33(18(4)38)29-26-32(31(16(2)36)17(3)37)24(39)22(28-34(26)27)14-19-10-12-20(41-5)13-11-19/h6-13H,14H2,1-5H3
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n/an/a 61.4n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50380102
PNG
(CHEMBL2013092)
Show SMILES COc1ccc(CC2=NN3C(N(N=C3N(N(C(C)=O)C(C)=O)C2=O)C(C)=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H24N6O5/c1-15(31)27-22(19-8-6-5-7-9-19)28-24(26-27)30(29(16(2)32)17(3)33)23(34)21(25-28)14-18-10-12-20(35-4)13-11-18/h5-13,22H,14H2,1-4H3
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n/an/a 86.7n/an/an/an/an/an/a



King Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404853
PNG
(CHEMBL156313)
Show SMILES c1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H,(H,12,13)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on Aryl hydrocarbon hydroxylase activity in 3-methylcolanthrene-induced rat liver microsomes at 2.6x10E-4M


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404855
PNG
(CHEMBL158007)
Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)
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n/an/a 1.78E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404855
PNG
(CHEMBL158007)
Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50017716
PNG
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404852
PNG
(CHEMBL345675)
Show SMILES CCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404852
PNG
(CHEMBL345675)
Show SMILES CCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM24656
PNG
(4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...)
Show SMILES c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404854
PNG
(CHEMBL155867)
Show SMILES CCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
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n/an/a 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404854
PNG
(CHEMBL155867)
Show SMILES CCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)
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n/an/a 8.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404853
PNG
(CHEMBL156313)
Show SMILES c1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-7H,(H,12,13)
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n/an/a 8.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50208872
PNG
(5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...)
Show SMILES Cc1cc2nc[nH]c2cc1C
Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
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n/an/a 9.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50208872
PNG
(5,6-dimethyl-1H-benzimidazole | 5,6-dimethylbenzim...)
Show SMILES Cc1cc2nc[nH]c2cc1C
Show InChI InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
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n/an/a 9.77E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404851
PNG
(CHEMBL156439)
Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404851
PNG
(CHEMBL156439)
Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404856
PNG
(CHEMBL156134)
Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
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n/an/a 1.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404856
PNG
(CHEMBL156134)
Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
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n/an/a 1.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404849
PNG
(CHEMBL348508)
Show SMILES CCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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n/an/a 4.79E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404849
PNG
(CHEMBL348508)
Show SMILES CCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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n/an/a 4.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404858
PNG
(CHEMBL351569)
Show SMILES CCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 6.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404858
PNG
(CHEMBL351569)
Show SMILES CCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 6.31E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404850
PNG
(CHEMBL309135)
Show SMILES Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
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n/an/a 6.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM50404850
PNG
(CHEMBL309135)
Show SMILES Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
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n/an/a 6.76E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM7939
PNG
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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n/an/a 1.10E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Rattus norvegicus)
BDBM7939
PNG
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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n/an/a 1.10E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)

More data for this
Ligand-Target Pair