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BDBM50222155 (S)-N-(1-(2-(2-(methylsulfonamido)benzyl)-2H-tetrazol-5-yl)-2-(benzyloxy)ethyl)-2-amino-2-methylpropanamide::CHEMBL391088

SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1

InChI Key: InChIKey=PXXWQUHTWRHBCK-LJQANCHMSA-N

Data: 1 KI  1 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 = 50222155   
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))
BDBM50222155
PNG
((S)-N-(1-(2-(2-(methylsulfonamido)benzyl)-2H-tetra...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C22H29N7O4S/c1-22(2,23)21(30)24-19(15-33-14-16-9-5-4-6-10-16)20-25-28-29(26-20)13-17-11-7-8-12-18(17)27-34(3,31)32/h4-12,19,27H,13-15,23H2,1-3H3,(H,24,30)/t19-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHSR1a after 1 hr


Bioorg Med Chem Lett 17: 5928-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50222155
PNG
((S)-N-(1-(2-(2-(methylsulfonamido)benzyl)-2H-tetra...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C22H29N7O4S/c1-22(2,23)21(30)24-19(15-33-14-16-9-5-4-6-10-16)20-25-28-29(26-20)13-17-11-7-8-12-18(17)27-34(3,31)32/h4-12,19,27H,13-15,23H2,1-3H3,(H,24,30)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 426n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 17: 5928-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.099
BindingDB Entry DOI: 10.7270/Q28P607D
More data for this
Ligand-Target Pair