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

InChI Key: InChIKey=MQLCJXCOIKRMFV-POURPWNDSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165604   
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))
BDBM50165604
PNG
(CHEMBL3798204)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30-/m1/s1
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Article
PubMed
131n/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))
BDBM50165604
PNG
(CHEMBL3798204)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30-/m1/s1
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PubMed
n/an/a 130n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165604
PNG
(CHEMBL3798204)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/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