BindingDB logo
myBDB logout

BDBM50125894 CHEMBL279822::N-[1-[(R)-(R)-1-Acetylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-2-dimethylamino-2-methyl-propionamide

SMILES: CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

InChI Key: InChIKey=WWVOLAXACGYVCQ-CLJLJLNGSA-N

Data: 2 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 2 hits for monomerid = 50125894   
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))
BDBM50125894
PNG
(CHEMBL279822 | N-[1-[(R)-(R)-1-Acetylamino-2-(1H-i...)
Show SMILES CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)32-26(15-20-17-31-24-13-9-7-11-22(20)24)34-27(37)25(33-28(38)29(2,3)35(4)5)14-19-16-30-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-31H,14-15H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20.1n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50125894
PNG
(CHEMBL279822 | N-[1-[(R)-(R)-1-Acetylamino-2-(1H-i...)
Show SMILES CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)32-26(15-20-17-31-24-13-9-7-11-22(20)24)34-27(37)25(33-28(38)29(2,3)35(4)5)14-19-16-30-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-31H,14-15H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair