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BDBM50125891 CHEMBL18853::N-{2-(1H-Indol-3-yl)-1-[(R)-(R)-2-(1H-indol-3-yl)-1-propionylamino-ethylcarbamoyl]-ethyl}-2-methyl-2-methylamino-propionamide

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

InChI Key: InChIKey=LGZCTGHFNMARJF-JWQCQUIFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50125891   
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))
BDBM50125891
PNG
(CHEMBL18853 | N-{2-(1H-Indol-3-yl)-1-[(R)-(R)-2-(1...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC
Show InChI InChI=1S/C29H36N6O3/c1-5-26(36)34-25(15-19-17-32-23-13-9-7-11-21(19)23)35-27(37)24(33-28(38)29(2,3)30-4)14-18-16-31-22-12-8-6-10-20(18)22/h6-13,16-17,24-25,30-32H,5,14-15H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t24-,25-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 167n/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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50125891
PNG
(CHEMBL18853 | N-{2-(1H-Indol-3-yl)-1-[(R)-(R)-2-(1...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC
Show InChI InChI=1S/C29H36N6O3/c1-5-26(36)34-25(15-19-17-32-23-13-9-7-11-21(19)23)35-27(37)24(33-28(38)29(2,3)30-4)14-18-16-31-22-12-8-6-10-20(18)22/h6-13,16-17,24-25,30-32H,5,14-15H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t24-,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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