BindingDB logo
myBDB logout

BDBM19320 N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-4-(pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-yl]ethyl]piperidine-3-carboxamide::Trisubstituted 1,2,4-Triazole, 28

SMILES: O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1)C1CCCNC1

InChI Key: InChIKey=SKYNFUYLPSUPDZ-HOINCLMKSA-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 = 19320   
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))
BDBM19320
PNG
(N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-4-(...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1)C1CCCNC1 |r|
Show InChI InChI=1S/C32H35N7O/c40-32(24-11-8-17-33-20-24)36-29(19-25-21-35-28-14-5-4-13-27(25)28)31-38-37-30(16-15-23-9-2-1-3-10-23)39(31)22-26-12-6-7-18-34-26/h1-7,9-10,12-14,18,21,24,29,33,35H,8,11,15-17,19-20,22H2,(H,36,40)/t24?,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.325



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