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BDBM50227175 (R)-tetrahydro-2H-pyran-4-yl 1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethylcarbamate::CHEMBL403426

SMILES: COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1

InChI Key: InChIKey=CGTBJUIELRPANN-MGBGTMOVSA-N

Data: 1 IC50  1 EC50

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

Found 2 hits for monomerid = 50227175   
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))
BDBM50227175
PNG
((R)-tetrahydro-2H-pyran-4-yl 1-(5-(2-(1H-indol-3-y...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1
Show InChI InChI=1S/C36H38N6O4/c1-44-27-13-10-24(11-14-27)23-42-34(15-12-25-21-37-31-8-4-2-6-29(25)31)40-41-35(42)33(39-36(43)46-28-16-18-45-19-17-28)20-26-22-38-32-9-5-3-7-30(26)32/h2-11,13-14,21-22,28,33,37-38H,12,15-20,23H2,1H3,(H,39,43)/t33-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 24n/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR1a receptor expressed in CHO cells assessed as intracellular calcium mobilization


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50227175
PNG
((R)-tetrahydro-2H-pyran-4-yl 1-(5-(2-(1H-indol-3-y...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1
Show InChI InChI=1S/C36H38N6O4/c1-44-27-13-10-24(11-14-27)23-42-34(15-12-25-21-37-31-8-4-2-6-29(25)31)40-41-35(42)33(39-36(43)46-28-16-18-45-19-17-28)20-26-22-38-32-9-5-3-7-30(26)32/h2-11,13-14,21-22,28,33,37-38H,12,15-20,23H2,1H3,(H,39,43)/t33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair