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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 19A1' and Ligand = 'BDBM50014324'   
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


(Rattus norvegicus)
BDBM50014324
PNG
(5-[Bis-(4-chloro-phenyl)-methyl]-pyrimidine | 5-[B...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H12Cl2N2/c18-15-5-1-12(2-6-15)17(14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-11,17H
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Article
PubMed
29n/an/an/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)
BDBM50014324
PNG
(5-[Bis-(4-chloro-phenyl)-methyl]-pyrimidine | 5-[B...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H12Cl2N2/c18-15-5-1-12(2-6-15)17(14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-11,17H
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 55n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.


J Med Chem 30: 1359-65 (1987)


Article DOI: 10.1021/jm00391a016
BindingDB Entry DOI: 10.7270/Q2NP251P
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014324
PNG
(5-[Bis-(4-chloro-phenyl)-methyl]-pyrimidine | 5-[B...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1
Show InChI InChI=1S/C17H12Cl2N2/c18-15-5-1-12(2-6-15)17(14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-11,17H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 55n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair