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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50371697'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (Human))
BDBM50371697
PNG
(CHEMBL404336)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24|
Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50371697
PNG
(CHEMBL404336)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24|
Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1
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737n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50371697
PNG
(CHEMBL404336)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24|
Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50371697
PNG
(CHEMBL404336)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1 |w:22.24|
Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1
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n/an/an/an/a 62n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair