BindingDB logo
myBDB logout

null

SMILES: COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1

InChI Key: InChIKey=HQOQKRHTKLWNAZ-FQLXRVMXSA-N

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 4 hits for monomerid = 102978   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.


US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair