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BDBM50477763 CHEMBL400125

SMILES: COc1cc2CCN(c2cc1N1CCNCC1)S(=O)(=O)c1ccc(s1)-c1ccccn1

InChI Key: InChIKey=IWNNRYHZLPQCIQ-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50477763   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50477763
PNG
(CHEMBL400125)
Show SMILES COc1cc2CCN(c2cc1N1CCNCC1)S(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C22H24N4O3S2/c1-29-20-14-16-7-11-26(18(16)15-19(20)25-12-9-23-10-13-25)31(27,28)22-6-5-21(30-22)17-4-2-3-8-24-17/h2-6,8,14-15,23H,7,9-13H2,1H3
PDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GSHR by FLIPR assay


Bioorg Med Chem Lett 17: 6584-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2
More data for this
Ligand-Target Pair