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BDBM50390597 CHEMBL2069577

SMILES: COc1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1

InChI Key: InChIKey=XXBUSSGGOFWDDC-FQKVKQEKNA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50390597   
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
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50390597
PNG
(CHEMBL2069577)
Show SMILES COc1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1
Show InChI InChI=1/C25H24N4O2S/c1-31-23-13-20(19-7-9-26-10-8-19)12-21(14-23)29-25(30)24(11-18-5-3-2-4-6-18)27-15-22-16-32-17-28-22/h2-10,12-14,16-17,24,27H,11,15H2,1H3,(H,29,30)/t24-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 810n/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))
BDBM50390597
PNG
(CHEMBL2069577)
Show SMILES COc1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1
Show InChI InChI=1/C25H24N4O2S/c1-31-23-13-20(19-7-9-26-10-8-19)12-21(14-23)29-25(30)24(11-18-5-3-2-4-6-18)27-15-22-16-32-17-28-22/h2-10,12-14,16-17,24,27H,11,15H2,1H3,(H,29,30)/t24-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 53n/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