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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 10027   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
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PC sid
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Universitat des Saarlandes



Assay Description
Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH


J Med Chem 52: 143-50 (2009)


Article DOI: 10.1021/jm800945c
BindingDB Entry DOI: 10.7270/Q2SQ9080
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 500n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair