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PubMed code 3968684

Compile data set for download or QSAR
Found 2 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))
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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PC cid
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PubMed
600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant (Ki) for Cytochrome P450 19A1


J Med Chem 28: 200-4 (1985)


BindingDB Entry DOI: 10.7270/Q2WM1FK8
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50015985
PNG
(3-Ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
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UniChem

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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant (Ki) for Cytochrome P450 19A1


J Med Chem 28: 200-4 (1985)


BindingDB Entry DOI: 10.7270/Q2WM1FK8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%