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Compile Data Set for Download or QSAR

Found 119 hits of ec50 data for polymerid = 1024,50000929   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024508
PNG
(5-[(4-Chloro-phenyl)-fluoro-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(F)(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H11ClF2N2/c18-15-5-1-12(2-6-15)17(20,14-9-21-11-22-10-14)13-3-7-16(19)8-4-13/h1-11H
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n/an/an/an/a 195n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014753
PNG
(3-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyridine :...)
Show SMILES Clc1ccc(cc1)C(Cl)(c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C18H12Cl3N/c19-16-7-3-13(4-8-16)18(21,15-2-1-11-22-12-15)14-5-9-17(20)10-6-14/h1-12H
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n/an/an/an/a 200n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014772
PNG
(3-[Bis-(4-chloro-phenyl)-fluoro-methyl]-pyridine |...)
Show SMILES FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C18H12Cl2FN/c19-16-7-3-13(4-8-16)18(21,15-2-1-11-22-12-15)14-5-9-17(20)10-6-14/h1-12H
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n/an/an/an/a 200n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014789
PNG
((4-Chloro-phenyl)-pyridin-3-yl-p-tolyl-methanol : ...)
Show SMILES Cc1ccc(cc1)C(O)(c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H16ClNO/c1-14-4-6-15(7-5-14)19(22,17-3-2-12-21-13-17)16-8-10-18(20)11-9-16/h2-13,22H,1H3
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n/an/an/an/a 230n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/an/an/a 260n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024483
PNG
((4-Nitro-phenyl)-phenyl-pyrimidin-5-yl-methanol | ...)
Show SMILES OC(c1ccccc1)(c1ccc(cc1)[N+]([O-])=O)c1cncnc1
Show InChI InChI=1S/C17H13N3O3/c21-17(13-4-2-1-3-5-13,15-10-18-12-19-11-15)14-6-8-16(9-7-14)20(22)23/h1-12,21H
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n/an/an/an/a 270n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024490
PNG
(5-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyrimidine...)
Show SMILES Clc1ccc(cc1)C(Cl)(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H11Cl3N2/c18-15-5-1-12(2-6-15)17(20,14-9-21-11-22-10-14)13-3-7-16(19)8-4-13/h1-11H
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n/an/an/an/a 275n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014811
PNG
((2,4-Dichloro-phenyl)-(4-fluoro-phenyl)-pyridin-3-...)
Show SMILES OC(c1ccc(F)cc1)(c1cccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H12Cl2FNO/c19-14-5-8-16(17(20)10-14)18(23,13-2-1-9-22-11-13)12-3-6-15(21)7-4-12/h1-11,23H
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n/an/an/an/a 315n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014766
PNG
(Bis-(4-chloro-phenyl)-pyrimidin-4-yl-methanol | CH...)
Show SMILES OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccncn1
Show InChI InChI=1S/C17H12Cl2N2O/c18-14-5-1-12(2-6-14)17(22,16-9-10-20-11-21-16)13-3-7-15(19)8-4-13/h1-11,22H
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n/an/an/an/a 322n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024519
PNG
((4-Chloro-phenyl)-(3-chloro-phenyl)-pyrimidin-5-yl...)
Show SMILES OC(c1ccc(Cl)cc1)(c1cccc(Cl)c1)c1cncnc1
Show InChI InChI=1S/C17H12Cl2N2O/c18-15-6-4-12(5-7-15)17(22,14-9-20-11-21-10-14)13-2-1-3-16(19)8-13/h1-11,22H
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n/an/an/an/a 350n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/an/an/a 400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024495
PNG
(CHEMBL283085 | Pyrimidin-5-yl-di-p-tolyl-methanol)
Show SMILES Cc1ccc(cc1)C(O)(c1ccc(C)cc1)c1cncnc1
Show InChI InChI=1S/C19H18N2O/c1-14-3-7-16(8-4-14)19(22,18-11-20-13-21-12-18)17-9-5-15(2)6-10-17/h3-13,22H,1-2H3
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n/an/an/an/a 410n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024488
PNG
(Bis-(4-fluoro-phenyl)-pyrimidin-5-yl-methanol | CH...)
Show SMILES OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cncnc1
Show InChI InChI=1S/C17H12F2N2O/c18-15-5-1-12(2-6-15)17(22,14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-11,22H
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n/an/an/an/a 530n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014784
PNG
((4-Chloro-phenyl)-pyridin-3-yl-(3-trifluoromethyl-...)
Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H13ClF3NO/c20-17-8-6-13(7-9-17)18(25,16-5-2-10-24-12-16)14-3-1-4-15(11-14)19(21,22)23/h1-12,25H
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n/an/an/an/a 650n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014770
PNG
(Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol ...)
Show SMILES OC(c1ncc[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c17-13-5-1-11(2-6-13)16(21,15-19-9-10-20-15)12-3-7-14(18)8-4-12/h1-10,21H,(H,19,20)
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n/an/an/an/a 670n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024480
PNG
((3,4-Dichloro-phenyl)-phenyl-pyrimidin-5-yl-methan...)
Show SMILES OC(c1ccccc1)(c1ccc(Cl)c(Cl)c1)c1cncnc1
Show InChI InChI=1S/C17H12Cl2N2O/c18-15-7-6-13(8-16(15)19)17(22,12-4-2-1-3-5-12)14-9-20-11-21-10-14/h1-11,22H
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024485
PNG
(5-[1,1-Bis-(4-chloro-phenyl)-2-phenyl-ethyl]-pyrim...)
Show SMILES Clc1ccc(cc1)C(Cc1ccccc1)(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C24H18Cl2N2/c25-22-10-6-19(7-11-22)24(21-15-27-17-28-16-21,14-18-4-2-1-3-5-18)20-8-12-23(26)13-9-20/h1-13,15-17H,14H2
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n/an/an/an/a 1.01E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024521
PNG
((4-Fluoro-phenyl)-(3-fluoro-phenyl)-pyrimidin-5-yl...)
Show SMILES OC(c1ccc(F)cc1)(c1cccc(F)c1)c1cncnc1
Show InChI InChI=1S/C17H12F2N2O/c18-15-6-4-12(5-7-15)17(22,14-9-20-11-21-10-14)13-2-1-3-16(19)8-13/h1-11,22H
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n/an/an/an/a 1.15E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024491
PNG
(5-[(2-Chloro-phenyl)-fluoro-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(F)(c1cncnc1)c1ccccc1Cl
Show InChI InChI=1S/C17H11ClF2N2/c18-16-4-2-1-3-15(16)17(20,13-9-21-11-22-10-13)12-5-7-14(19)8-6-12/h1-11H
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024505
PNG
((3,4-Dimethyl-phenyl)-(4-methoxy-3-methyl-phenyl)-...)
Show SMILES COc1ccc(cc1C)C(O)(c1ccc(C)c(C)c1)c1cncnc1
Show InChI InChI=1S/C21H22N2O2/c1-14-5-6-17(9-15(14)2)21(24,19-11-22-13-23-12-19)18-7-8-20(25-4)16(3)10-18/h5-13,24H,1-4H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014795
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy-methyl]-pyridine ...)
Show SMILES COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H15Cl2NO/c1-23-19(16-3-2-12-22-13-16,14-4-8-17(20)9-5-14)15-6-10-18(21)11-7-15/h2-13H,1H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024525
PNG
((4-Chloro-phenyl)-(3-fluoro-phenyl)-pyrimidin-5-yl...)
Show SMILES OC(c1ccc(Cl)cc1)(c1cccc(F)c1)c1cncnc1
Show InChI InChI=1S/C17H12ClFN2O/c18-15-6-4-12(5-7-15)17(22,14-9-20-11-21-10-14)13-2-1-3-16(19)8-13/h1-11,22H
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n/an/an/an/a 1.65E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014768
PNG
((4-Chloro-2-methoxy-phenyl)-phenyl-pyridin-3-yl-me...)
Show SMILES COc1cc(Cl)ccc1C(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H16ClNO2/c1-23-18-12-16(20)9-10-17(18)19(22,14-6-3-2-4-7-14)15-8-5-11-21-13-15/h2-13,22H,1H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014779
PNG
(1-[Bis-(4-chloro-phenyl)-methyl]-piperazine | CHEM...)
Show SMILES Clc1ccc(cc1)C(N1CCNCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
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n/an/an/an/a 1.93E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024482
PNG
(CHEMBL284636 | Phenyl-pyrimidin-5-yl-(4-trifluorom...)
Show SMILES OC(c1ccccc1)(c1ccc(cc1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)15-8-6-14(7-9-15)17(24,13-4-2-1-3-5-13)16-10-22-12-23-11-16/h1-12,24H
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n/an/an/an/a 1.95E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014769
PNG
(1-[Bis-(4-chloro-phenyl)-methyl]-1H-pyrazole | CHE...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cccn1
Show InChI InChI=1S/C16H12Cl2N2/c17-14-6-2-12(3-7-14)16(20-11-1-10-19-20)13-4-8-15(18)9-5-13/h1-11,16H
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n/an/an/an/a>2.00E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014761
PNG
(Bis-(4-chloro-phenyl)-(2H-[1,2,3]triazol-4-yl)-met...)
Show SMILES OC(c1cnn[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-5-1-10(2-6-12)15(21,14-9-18-20-19-14)11-3-7-13(17)8-4-11/h1-9,21H,(H,18,19,20)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014757
PNG
((4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-m...)
Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
Show InChI InChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024523
PNG
((4-Methoxy-phenyl)-phenyl-pyrimidin-5-yl-methanol ...)
Show SMILES COc1ccc(cc1)C(O)(c1ccccc1)c1cncnc1
Show InChI InChI=1S/C18H16N2O2/c1-22-17-9-7-15(8-10-17)18(21,14-5-3-2-4-6-14)16-11-19-13-20-12-16/h2-13,21H,1H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024514
PNG
(CHEMBL280558 | Cyclopropyl-(4-methoxy-phenyl)-pyri...)
Show SMILES COc1ccc(cc1)C(O)(C1CC1)c1cncnc1
Show InChI InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024509
PNG
(CHEMBL285844 | Cyclobutyl-(4-methoxy-phenyl)-pyrim...)
Show SMILES COc1ccc(cc1)C(O)(C1CCC1)c1cncnc1
Show InChI InChI=1S/C16H18N2O2/c1-20-15-7-5-13(6-8-15)16(19,12-3-2-4-12)14-9-17-11-18-10-14/h5-12,19H,2-4H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014813
PNG
((4-Chloro-phenyl)-phenyl-pyridin-3-yl-methanol | C...)
Show SMILES OC(c1ccccc1)(c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C18H14ClNO/c19-17-10-8-15(9-11-17)18(21,14-5-2-1-3-6-14)16-7-4-12-20-13-16/h1-13,21H
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024512
PNG
(CHEMBL280781 | Cyclohexyl-pyrimidin-5-yl-p-tolyl-m...)
Show SMILES Cc1ccc(cc1)C(O)(C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C18H22N2O/c1-14-7-9-16(10-8-14)18(21,15-5-3-2-4-6-15)17-11-19-13-20-12-17/h7-13,15,21H,2-6H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024506
PNG
((4-Chloro-phenyl)-phenyl-pyrimidin-5-yl-methanol |...)
Show SMILES OC(c1ccccc1)(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H13ClN2O/c18-16-8-6-14(7-9-16)17(21,13-4-2-1-3-5-13)15-10-19-12-20-11-15/h1-12,21H
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n/an/an/an/a>2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024503
PNG
(CHEMBL28860 | Cyclopropyl-pyrimidin-5-yl-thiophen-...)
Show SMILES OC(C1CC1)(c1cccs1)c1cncnc1
Show InChI InChI=1S/C12H12N2OS/c15-12(9-3-4-9,11-2-1-5-16-11)10-6-13-8-14-7-10/h1-2,5-9,15H,3-4H2
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n/an/an/an/a>2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024502
PNG
(1-(4-Methoxy-phenyl)-2,2-dimethyl-1-pyrimidin-5-yl...)
Show SMILES COc1ccc(cc1)C(O)(c1cncnc1)C(C)(C)C
Show InChI InChI=1S/C16H20N2O2/c1-15(2,3)16(19,13-9-17-11-18-10-13)12-5-7-14(20-4)8-6-12/h5-11,19H,1-4H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024500
PNG
(CHEMBL29140 | Phenyl-pyrimidin-5-yl-thiophen-2-yl-...)
Show SMILES OC(c1cccs1)(c1ccccc1)c1cncnc1
Show InChI InChI=1S/C15H12N2OS/c18-15(14-7-4-8-19-14,12-5-2-1-3-6-12)13-9-16-11-17-10-13/h1-11,18H
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024499
PNG
(1-(4-Methoxy-phenyl)-2-methyl-1-pyrimidin-5-yl-but...)
Show SMILES CCC(C)C(O)(c1ccc(OC)cc1)c1cncnc1
Show InChI InChI=1S/C16H20N2O2/c1-4-12(2)16(19,14-9-17-11-18-10-14)13-5-7-15(20-3)8-6-13/h5-12,19H,4H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024496
PNG
(CHEMBL29412 | Pyrimidin-5-yl-di-thiophen-2-yl-meth...)
Show SMILES OC(c1cccs1)(c1cccs1)c1cncnc1
Show InChI InChI=1S/C13H10N2OS2/c16-13(11-3-1-5-17-11,12-4-2-6-18-12)10-7-14-9-15-8-10/h1-9,16H
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024497
PNG
(2-Methyl-1-(5-methyl-thiophen-2-yl)-1-pyrimidin-5-...)
Show SMILES CC(C)C(O)(c1ccc(C)s1)c1cncnc1
Show InChI InChI=1S/C13H16N2OS/c1-9(2)13(16,11-6-14-8-15-7-11)12-5-4-10(3)17-12/h4-9,16H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024492
PNG
(CHEMBL29670 | Diphenyl-pyrimidin-5-yl-methanol)
Show SMILES OC(c1ccccc1)(c1ccccc1)c1cncnc1
Show InChI InChI=1S/C17H14N2O/c20-17(14-7-3-1-4-8-14,15-9-5-2-6-10-15)16-11-18-13-19-12-16/h1-13,20H
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024487
PNG
(1-(4-Chloro-phenyl)-2-methyl-1-pyrimidin-5-yl-prop...)
Show SMILES CC(C)C(O)(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C14H15ClN2O/c1-10(2)14(18,12-7-16-9-17-8-12)11-3-5-13(15)6-4-11/h3-10,18H,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024486
PNG
(Bis-(4-chloro-phenyl)-(1-oxy-pyrimidin-5-yl)-metha...)
Show SMILES OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cnc[n+]([O-])c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-15-5-1-12(2-6-15)17(22,13-3-7-16(19)8-4-13)14-9-20-11-21(23)10-14/h1-11,22H
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024484
PNG
(5-[1,1,2-Tris-(4-chloro-phenyl)-ethyl]-pyrimidine ...)
Show SMILES Clc1ccc(CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2cncnc2)cc1
Show InChI InChI=1S/C24H17Cl3N2/c25-21-7-1-17(2-8-21)13-24(20-14-28-16-29-15-20,18-3-9-22(26)10-4-18)19-5-11-23(27)12-6-19/h1-12,14-16H,13H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024510
PNG
(CHEMBL417120 | Cyclopentyl-cyclopropyl-pyrimidin-5...)
Show SMILES OC(C1CC1)(C1CCCC1)c1cncnc1
Show InChI InChI=1S/C13H18N2O/c16-13(11-5-6-11,10-3-1-2-4-10)12-7-14-9-15-8-12/h7-11,16H,1-6H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014812
PNG
(Bis-(4-chloro-phenyl)-(2H-[1,2,4]triazol-3-yl)-met...)
Show SMILES OC(c1nnc[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-5-1-10(2-6-12)15(21,14-18-9-19-20-14)11-3-7-13(17)8-4-11/h1-9,21H,(H,18,19,20)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014806
PNG
((2,4-Dichloro-phenyl)-phenyl-pyridin-3-yl-methanol...)
Show SMILES OC(c1ccccc1)(c1cccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2NO/c19-15-8-9-16(17(20)11-15)18(22,13-5-2-1-3-6-13)14-7-4-10-21-12-14/h1-12,22H
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n/an/an/an/a>2.00E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014792
PNG
(Bis-(4-methoxy-phenyl)-pyridin-3-yl-methanol | CHE...)
Show SMILES COc1ccc(cc1)C(O)(c1ccc(OC)cc1)c1cccnc1
Show InChI InChI=1S/C20H19NO3/c1-23-18-9-5-15(6-10-18)20(22,17-4-3-13-21-14-17)16-7-11-19(24-2)12-8-16/h3-14,22H,1-2H3
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n/an/an/an/a>2.00E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024494
PNG
((4-Fluoro-phenyl)-phenyl-pyrimidin-5-yl-methanol |...)
Show SMILES OC(c1ccccc1)(c1ccc(F)cc1)c1cncnc1
Show InChI InChI=1S/C17H13FN2O/c18-16-8-6-14(7-9-16)17(21,13-4-2-1-3-5-13)15-10-19-12-20-11-15/h1-12,21H
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n/an/an/an/a>2.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50024489
PNG
(5-[Bis-(4-chloro-phenyl)-methylene]-1,4,5,6-tetrah...)
Show SMILES Clc1ccc(cc1)C(=C1CNC=NC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14Cl2N2/c18-15-5-1-12(2-6-15)17(14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-8,11H,9-10H2,(H,20,21)
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n/an/an/an/a 2.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
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