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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.4
BDBM50381477

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3140-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.054
BindingDB Entry DOI: 10.7270/Q24Q7W0H
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 115n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 37n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 23n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 252n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair