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PubMed code 1613747

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50006552
PNG
(3-(4-Amino-phenyl)-3-cyclopentyl-piperidine-2,6-di...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCC1
Show InChI InChI=1S/C16H20N2O2/c17-13-7-5-12(6-8-13)16(11-3-1-2-4-11)10-9-14(19)18-15(16)20/h5-8,11H,1-4,9-10,17H2,(H,18,19,20)
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50406639
PNG
(AMINOGLUTETHIMIDE | CHEMBL2051951)
Show SMILES CC[C@@]1(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)/t13-/m1/s1
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
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 2.90E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
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 3.70E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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PubMed
n/an/a 8.20E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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PubMed
n/an/a 8.20E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50406640
PNG
(AMINOGLUTETHIMIDE | CHEMBL1394757)
Show SMILES CC[C@]1(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)/t13-/m0/s1
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PubMed
n/an/a 3.70E+5n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Aromatase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%