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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 19A1' and Ligand = 'BDBM50025155'   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50025155
PNG
(3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione ...)
Show SMILES CC1(CC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
PubMed
800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)


J Med Chem 29: 520-3 (1986)


BindingDB Entry DOI: 10.7270/Q28051MG
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50025155
PNG
(3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione ...)
Show SMILES CC1(CC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)


J Med Chem 29: 520-3 (1986)


BindingDB Entry DOI: 10.7270/Q28051MG
More data for this
Ligand-Target Pair