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BDBM50089882 CHEMBL3581047

SMILES: COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1

InChI Key: InChIKey=BFGQGBCFWCMBDY-PSXMRANNSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089882   
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))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 313n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair