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SMILES: OCCNC(=O)c1cnn(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12

InChI Key: InChIKey=VGLIOIBFQSVNBH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460260   
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
G-protein coupled receptor 52


(Homo sapiens (Human))		BDBM50460260
PNG
(CHEMBL4226225)
Show SMILES OCCNC(=O)c1cnn(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C22H18F3N3O2S/c23-22(24,25)17-5-1-3-14(9-17)10-18-11-15-4-2-6-19(20(15)31-18)28-13-16(12-27-28)21(30)26-7-8-29/h1-6,9,11-13,29H,7-8,10H2,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 87n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay

Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair