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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 10041   
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
Aromatase


(Homo sapiens (Human))
BDBM10041
PNG
(7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...)
Show SMILES C(c1ccc2ccncc2c1)n1ccnc1
Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+3n/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))
BDBM10041
PNG
(7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...)
Show SMILES C(c1ccc2ccncc2c1)n1ccnc1
Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+3n/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
Aromatase


(Homo sapiens (Human))
BDBM10041
PNG
(7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...)
Show SMILES C(c1ccc2ccncc2c1)n1ccnc1
Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM10041
PNG
(7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...)
Show SMILES C(c1ccc2ccncc2c1)n1ccnc1
Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/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