BindingDB logo
myBDB logout

BDBM50232289 (1S,2R)-N-((R)-(5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-aminocyclohexanecarboxamide::CHEMBL400879

SMILES: COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2N)c2c[nH]c3ccccc23)c(OC)c1

InChI Key: InChIKey=RBESMANDJBTCOU-UNPBUSPFSA-N

Data: 1 IC50

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 1 hit for monomerid = 50232289   
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))
BDBM50232289
PNG
((1S,2R)-N-((R)-(5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2N)c2c[nH]c3ccccc23)c(OC)c1
Show InChI InChI=1S/C37H41N7O3/c1-46-25-17-15-24(33(19-25)47-2)22-44-34(18-16-23-20-39-31-13-7-4-9-26(23)31)42-43-36(44)35(29-21-40-32-14-8-5-10-27(29)32)41-37(45)28-11-3-6-12-30(28)38/h4-5,7-10,13-15,17,19-21,28,30,35,39-40H,3,6,11-12,16,18,22,38H2,1-2H3,(H,41,45)/t28-,30+,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair