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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.5
BDBM50390596

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

Found 2 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
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50390596
PNG
(CHEMBL2069576)
Show SMILES COc1ccc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cscn1)-c1ccncc1 |r|
Show InChI InChI=1S/C25H24N4O2S/c1-31-24-8-7-20(19-9-11-26-12-10-19)14-22(24)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...


Bioorg Med Chem Lett 22: 5942-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.063
BindingDB Entry DOI: 10.7270/Q2VH5PXT
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50390596
PNG
(CHEMBL2069576)
Show SMILES COc1ccc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cscn1)-c1ccncc1 |r|
Show InChI InChI=1S/C25H24N4O2S/c1-31-24-8-7-20(19-9-11-26-12-10-19)14-22(24)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 89n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...


Bioorg Med Chem Lett 22: 5942-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.063
BindingDB Entry DOI: 10.7270/Q2VH5PXT
More data for this
Ligand-Target Pair