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PubMed code 3361583

Compile data set for download or QSAR
Found 5 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


(Homo sapiens (Human))
BDBM50405683
PNG
(CHEMBL174909)
Show SMILES CCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H18N2O2/c1-2-3-8-17-13(18)12-9-15(12,14(17)19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3
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PubMed
1.5n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Apparent inhibition constant (Ki) for cytochrome P450 19A1 with androstenedione


J Med Chem 31: 971-6 (1988)


BindingDB Entry DOI: 10.7270/Q2154J7X
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50011767
PNG
(1-(4-Amino-phenyl)-3-pentyl-3-aza-bicyclo[3.1.0]he...)
Show SMILES CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-9-18-14(19)13-10-16(13,15(18)20)11-5-7-12(17)8-6-11/h5-8,13H,2-4,9-10,17H2,1H3
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20n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 androstenedione


J Med Chem 31: 971-6 (1988)


BindingDB Entry DOI: 10.7270/Q2154J7X
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50405688
PNG
(CHEMBL174407)
Show SMILES CCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
Show InChI InChI=1S/C14H16N2O2/c1-2-7-16-12(17)11-8-14(11,13(16)18)9-3-5-10(15)6-4-9/h3-6,11H,2,7-8,15H2,1H3
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50n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 androstenedione


J Med Chem 31: 971-6 (1988)


BindingDB Entry DOI: 10.7270/Q2154J7X
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50011760
PNG
(1-(4-Amino-phenyl)-3-aza-bicyclo[3.1.0]hexane-2,4-...)
Show SMILES Nc1ccc(cc1)C12CC1C(=O)NC2=O
Show InChI InChI=1S/C11H10N2O2/c12-7-3-1-6(2-4-7)11-5-8(11)9(14)13-10(11)15/h1-4,8H,5,12H2,(H,13,14,15)
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1.20E+3n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 androstenedione


J Med Chem 31: 971-6 (1988)


BindingDB Entry DOI: 10.7270/Q2154J7X
More data for this
Ligand-Target Pair
Aromatase


(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
1.80E+3n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with testosterone


J Med Chem 31: 971-6 (1988)


BindingDB Entry DOI: 10.7270/Q2154J7X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%