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BDBM50477757 CHEMBL248745

SMILES: COc1cc2CCN(c2cc1N1C[C@@H](C)NC(C)(C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1

InChI Key: InChIKey=KLDVNFOSTFVUQM-QGZVFWFLSA-N

Data: 1 EC50

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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 = 50477757   
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))
BDBM50477757
PNG
(CHEMBL248745)
Show SMILES COc1cc2CCN(c2cc1N1C[C@@H](C)NC(C)(C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C25H30N4O3S2/c1-17-15-28(16-25(2,3)27-17)21-14-20-18(13-22(21)32-4)10-12-29(20)34(30,31)24-9-8-23(33-24)19-7-5-6-11-26-19/h5-9,11,13-14,17,27H,10,12,15-16H2,1-4H3/t17-/m1/s1
PDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 10n/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