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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.5
BDBM50440703

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))
BDBM50440703
PNG
(CHEMBL2431058)
Show SMILES O=C(Nc1ncc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-13-19(29-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 734n/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...


ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50440703
PNG
(CHEMBL2431058)
Show SMILES O=C(Nc1ncc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-13-19(29-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.04E+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...


ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair