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Compile Data Set for Download or QSAR

Found 95 hits of ic50 for UniProtKB: P00176   
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 2B1


(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 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404883
PNG
(CHEMBL169858)
Show SMILES Brc1cccc(Br)c1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10Br2N2O/c15-9-4-3-5-10(16)14(9)19-8-13-17-11-6-1-2-7-12(11)18-13/h1-7H,8H2,(H,17,18)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404886
PNG
(CHEMBL169709)
Show SMILES Brc1ccc(OCc2nc3ccccc3[nH]2)c(Br)c1
Show InChI InChI=1S/C14H10Br2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404941
PNG
(CHEMBL353984)
Show SMILES Brc1ccccc1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404888
PNG
(CHEMBL169203)
Show SMILES C(CCc1ccccc1)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H18N2/c1-2-8-14(9-3-1)10-4-7-13-17-18-15-11-5-6-12-16(15)19-17/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,18,19)
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n/an/a 1.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 1.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404893
PNG
(CHEMBL355666)
Show SMILES Clc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2/c15-10-6-5-9(11(16)8-10)7-14-17-12-3-1-2-4-13(12)18-14/h1-6,8H,7H2,(H,17,18)
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n/an/a 1.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404902
PNG
(CHEMBL355669)
Show SMILES C(c1nc2ccccc2[nH]1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N2/c1-2-6-15-11-13(9-10-14(15)5-1)12-18-19-16-7-3-4-8-17(16)20-18/h1-11H,12H2,(H,19,20)
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n/an/a 1.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404903
PNG
(CHEMBL172621)
Show SMILES C(Cc1nc2ccccc2[nH]1)Cc1ccccc1
Show InChI InChI=1S/C16H16N2/c1-2-7-13(8-3-1)9-6-12-16-17-14-10-4-5-11-15(14)18-16/h1-5,7-8,10-11H,6,9,12H2,(H,17,18)
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n/an/a 1.91E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM39194
PNG
((1H-Benzoimidazol-5-yl)-phenyl-methanone | 3H-benz...)
Show SMILES O=C(c1ccccc1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404916
PNG
(CHEMBL171325)
Show SMILES Brc1ccc(OCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C14H11BrN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 2.19E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404925
PNG
(CHEMBL354972)
Show SMILES Clc1cccc(Cc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H11ClN2/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 2.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404936
PNG
(CHEMBL169212)
Show SMILES CCCCCCCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-20-21-18-15-13-14-16-19(18)22-20/h13-16H,2-12,17H2,1H3,(H,21,22)
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n/an/a 2.29E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404896
PNG
(CHEMBL355280)
Show SMILES Clc1ccc(OCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404905
PNG
(CHEMBL170513)
Show SMILES C(c1nc2ccccc2[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C18H14N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)
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n/an/a 2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404930
PNG
(CHEMBL170998)
Show SMILES C(Cc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)18-11-10-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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n/an/a 2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404942
PNG
(CHEMBL353595)
Show SMILES Cc1cc(C)cc(OCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H16N2O/c1-11-7-12(2)9-13(8-11)19-10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404944
PNG
(CHEMBL424396)
Show SMILES Cc1ccc(OCc2nc3ccccc3[nH]2)cc1C
Show InChI InChI=1S/C16H16N2O/c1-11-7-8-13(9-12(11)2)19-10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404934
PNG
(CHEMBL172156)
Show SMILES Clc1ccccc1OCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11ClN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
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n/an/a 2.69E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404907
PNG
(CHEMBL172114)
Show SMILES Clc1cc(NC(=O)c2ccccc2)c2[nH]cnc2c1
Show InChI InChI=1S/C14H10ClN3O/c15-10-6-11-13(17-8-16-11)12(7-10)18-14(19)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
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n/an/a 2.69E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404931
PNG
(CHEMBL354514)
Show SMILES Clc1cccc(OCc2nc3ccccc3[nH]2)c1Cl
Show InChI InChI=1S/C14H10Cl2N2O/c15-9-4-3-7-12(14(9)16)19-8-13-17-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,17,18)
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n/an/a 2.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404938
PNG
(CHEMBL170771)
Show SMILES CCCCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
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n/an/a 2.88E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404932
PNG
(CHEMBL169149)
Show SMILES Cc1cccc(OCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H14N2O/c1-11-5-4-6-12(9-11)18-10-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
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n/an/a 2.88E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404891
PNG
(CHEMBL353945)
Show SMILES Cc1cc(OCc2nc3ccccc3[nH]2)cc(C)c1Cl
Show InChI InChI=1S/C16H15ClN2O/c1-10-7-12(8-11(2)16(10)17)20-9-15-18-13-5-3-4-6-14(13)19-15/h3-8H,9H2,1-2H3,(H,18,19)
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n/an/a 3.02E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404909
PNG
(CHEMBL352972)
Show SMILES C1N=c2c3ccccc3c3ccccc3c2=N1
Show InChI InChI=1S/C15H10N2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-8H,9H2
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n/an/a 3.02E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404921
PNG
(CHEMBL171191)
Show SMILES CCCCCCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H18N2/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3,(H,14,15)
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n/an/a 3.24E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50240909
PNG
(2-Phenethyl-1H-benzoimidazole | 2-phenethyl-1H-ben...)
Show SMILES C(Cc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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n/an/a 3.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404904
PNG
(CHEMBL170910)
Show SMILES CCCCCCCc1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C15H22N2/c1-3-4-5-6-7-8-15-16-13-10-9-12(2)11-14(13)17-15/h9-11H,3-8H2,1-2H3,(H,16,17)
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n/an/a 4.17E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404926
PNG
(CHEMBL355159)
Show SMILES Cc1ccc(OCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C15H14N2O/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
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n/an/a 4.47E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404940
PNG
(CHEMBL169701)
Show SMILES CCCCCCCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C16H24N2/c1-4-5-6-7-8-9-16-17-14-10-12(2)13(3)11-15(14)18-16/h10-11H,4-9H2,1-3H3,(H,17,18)
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n/an/a 4.47E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 5.01E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(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 5.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats


J Med Chem 25: 622-6 (1982)


Article DOI: 10.1021/jm00348a003
BindingDB Entry DOI: 10.7270/Q2474C1S
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404899
PNG
(CHEMBL171977)
Show SMILES Cc1cccc(Cc2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C16H16N2/c1-11-6-5-7-13(12(11)2)10-16-17-14-8-3-4-9-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
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n/an/a 5.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404929
PNG
(CHEMBL171759)
Show SMILES Clc1cc(Cl)c2[nH]cnc2c1
Show InChI InChI=1S/C7H4Cl2N2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)
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n/an/a 5.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404943
PNG
(CHEMBL415754)
Show SMILES C1N=c2ccc3ccccc3c2=N1
Show InChI InChI=1S/C11H8N2/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-6H,7H2
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n/an/a 5.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404922
PNG
(CHEMBL353807)
Show SMILES CCCCc1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C13H18N2/c1-4-5-6-13-14-11-7-9(2)10(3)8-12(11)15-13/h7-8H,4-6H2,1-3H3,(H,14,15)
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n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM3789
PNG
(1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...)
Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)
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n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404914
PNG
(CHEMBL169912)
Show SMILES CCOc1ccc2nc(C)[nH]c2c1
Show InChI InChI=1S/C10H12N2O/c1-3-13-8-4-5-9-10(6-8)12-7(2)11-9/h4-6H,3H2,1-2H3,(H,11,12)
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n/an/a 5.62E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50078834
PNG
(2-(pyridin-2-yl)-1H-benzo[d]imidazole | 2-pyridin-...)
Show SMILES c1ccc(nc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
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n/an/a 6.46E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404920
PNG
(CHEMBL171673)
Show SMILES CCOc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C9H10N2O/c1-2-12-7-3-4-8-9(5-7)11-6-10-8/h3-6H,2H2,1H3,(H,10,11)
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n/an/a 6.76E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404894
PNG
(CHEMBL171992)
Show SMILES CCc1ccc(OCc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C16H16N2O/c1-2-12-7-9-13(10-8-12)19-11-16-17-14-5-3-4-6-15(14)18-16/h3-10H,2,11H2,1H3,(H,17,18)
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n/an/a 6.76E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404885
PNG
(CHEMBL424581)
Show SMILES C(Oc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
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PC sid
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n/an/a 6.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404935
PNG
(CHEMBL71855)
Show SMILES Cc1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
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n/an/a 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404895
PNG
(CHEMBL303252)
Show SMILES Clc1cc2nc[nH]c2cc1Cl
Show InChI InChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
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n/an/a 8.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50404908
PNG
(CHEMBL171135)
Show SMILES C1CCC(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)
PDB

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PC cid
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Article
PubMed
n/an/a 9.12E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.


J Med Chem 25: 887-92 (1982)


Article DOI: 10.1021/jm00350a002
BindingDB Entry DOI: 10.7270/Q2VT1T8J
More data for this
Ligand-Target Pair
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