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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Aromatase cytochrome P450'   
Target
(Institution)
LigandTarget
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 cytochrome P450


(Homo sapiens (Human))
BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase cytochrome P450


(Homo sapiens (Human))
BDBM85252
PNG
(2,4-Trans-4'-hydroxy-4-imidazolyl-7-methoxyfla...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccc(O)cc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O3/c1-23-15-6-7-16-17(21-9-8-20-12-21)11-18(24-19(16)10-15)13-2-4-14(22)5-3-13/h2-10,12,17-18,22H,11H2,1H3
GoogleScholar
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase cytochrome P450


(Homo sapiens (Human))
BDBM85253
PNG
(2,4-Trans-4',7-dihydroxy-4-imidazolyl-7-methox...)
Show SMILES Oc1ccc(cc1)C1CC(c2ccc(O)cc2O1)n1ccnc1
Show InChI InChI=1S/C18H16N2O3/c21-13-3-1-12(2-4-13)17-10-16(20-8-7-19-11-20)15-6-5-14(22)9-18(15)23-17/h1-9,11,16-17,21-22H,10H2
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase cytochrome P450


(Homo sapiens (Human))
BDBM85249
PNG
(2,4-Trans-3'-hydroxy-4-imidazolyl-7-methoxyfla...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1cccc(O)c1)n1ccnc1
Show InChI InChI=1S/C19H18N2O3/c1-23-15-5-6-16-17(21-8-7-20-12-21)11-18(24-19(16)10-15)13-3-2-4-14(22)9-13/h2-10,12,17-18,22H,11H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase cytochrome P450


(Homo sapiens (Human))
BDBM85251
PNG
(2,4-Trans-4'-cyano-4-imidazolyl-7-methoxyflava...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C20H17N3O2/c1-24-16-6-7-17-18(23-9-8-22-13-23)11-19(25-20(17)10-16)15-4-2-14(12-21)3-5-15/h2-10,13,18-19H,11H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 133n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair
Aromatase cytochrome P450


(Homo sapiens (Human))
BDBM85250
PNG
(2,4-Trans-4'-chloro-4-imidazolyl-7-methoxyflav...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccc(Cl)cc1)n1ccnc1
Show InChI InChI=1S/C19H17ClN2O2/c1-23-15-6-7-16-17(22-9-8-21-12-22)11-18(24-19(16)10-15)13-2-4-14(20)5-3-13/h2-10,12,17-18H,11H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...


Citation and Details
More data for this
Ligand-Target Pair