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BDBM50020022 CHEMBL3287821

SMILES: COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1

InChI Key: InChIKey=HEWBOAJFYPRKLD-UHFFFAOYSA-N

Data: 2 IC50

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 = 50020022   
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
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair