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BDBM19330 (2R)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide::Trisubstituted 1,2,4-Triazole, 38

SMILES: CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1

InChI Key: InChIKey=QDDCAAMEEYUGOX-ROJLCIKYSA-N

Data: 1 IC50

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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 = 19330   
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))
BDBM19330
PNG
((2R)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phe...)
Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 |r|
Show InChI InChI=1S/C35H40N6O/c1-2-25-15-17-27(18-16-25)24-41-33(20-19-26-10-4-3-5-11-26)39-40-34(41)32(38-35(42)31-14-8-9-21-36-31)22-28-23-37-30-13-7-6-12-29(28)30/h3-7,10-13,15-18,23,31-32,36-37H,2,8-9,14,19-22,24H2,1H3,(H,38,42)/t31-,32-/m1/s1
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Similars

Article
PubMed
n/an/a 375n/an/an/an/an/an/a



CNRS



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...


J Med Chem 50: 5790-5806 (2007)


Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4
More data for this
Ligand-Target Pair