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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P22443   
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 19A1


(Rattus norvegicus)
BDBM50014315
PNG
((rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)me...)
Show SMILES Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1
Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3
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PubMed
n/an/a 3n/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 19A1


J Med Chem 33: 2933-42 (1990)


Article DOI: 10.1021/jm00173a001
BindingDB Entry DOI: 10.7270/Q2VM4CW9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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PubMed
n/an/a 170n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50123022
PNG
(CHEMBL169251)
Show SMILES O=C1\C(CCc2ccccc12)=C/c1c[nH]cn1
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7-
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n/an/a 260n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50035204
PNG
(4-(6-Methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]...)
Show SMILES COc1ccc2CCC3C(C3c2c1)c1ccncc1
Show InChI InChI=1S/C17H17NO/c1-19-13-4-2-11-3-5-14-16(17(14)15(11)10-13)12-6-8-18-9-7-12/h2,4,6-10,14,16-17H,3,5H2,1H3
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n/an/a 265n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1


J Med Chem 38: 2103-11 (1995)


Article DOI: 10.1021/jm00012a009
BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50009606
PNG
(5-Hydroxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1


J Med Chem 34: 2685-91 (1991)


Article DOI: 10.1021/jm00113a004
BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50009605
PNG
(2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(...)
Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccncc1
Show InChI InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2/b14-11+
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n/an/a 4.60E+3n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
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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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1


J Med Chem 38: 2103-11 (1995)


Article DOI: 10.1021/jm00012a009
BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50009618
PNG
(5-Methoxy-2-pyridin-4-ylmethyl-3,4-dihydro-2H-naph...)
Show SMILES COc1cccc2C(=O)C(Cc3ccncc3)CCc12
Show InChI InChI=1S/C17H17NO2/c1-20-16-4-2-3-15-14(16)6-5-13(17(15)19)11-12-7-9-18-10-8-12/h2-4,7-10,13H,5-6,11H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibition of rat ovarian aromatase cytochrome P450 19A1


J Med Chem 34: 2685-91 (1991)


Article DOI: 10.1021/jm00113a004
BindingDB Entry DOI: 10.7270/Q2ST7NT9
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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PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian Cytochrome P450 19A


J Med Chem 34: 2685-91 (1991)


Article DOI: 10.1021/jm00113a004
BindingDB Entry DOI: 10.7270/Q2ST7NT9
More data for this
Ligand-Target Pair