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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50393564'   
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
Glucagon-like peptide 1 receptor


(Rattus norvegicus)
BDBM50393564
PNG
(CHEMBL2158392)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2ccccc2)[C@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H]1c1ccccc1)C(O)=O)C(O)=O |r,wU:18.19,25.27,43.47,17.17,wD:25.54,17.57,(30.33,-18.46,;31.67,-17.7,;33,-18.48,;31.68,-19.24,;31.68,-16.16,;33.02,-15.4,;34.35,-16.18,;33.03,-13.86,;31.7,-13.08,;30.36,-13.84,;29.03,-13.06,;29.05,-11.52,;30.38,-10.76,;31.71,-11.53,;27.73,-10.74,;26.39,-11.5,;27.74,-9.2,;26.67,-8.09,;26.67,-6.55,;27.99,-5.76,;29.33,-6.51,;30.65,-5.72,;30.62,-4.17,;29.27,-3.43,;27.95,-4.22,;25.13,-6.55,;24.36,-5.22,;25.13,-3.88,;26.67,-3.88,;24.36,-2.55,;25.13,-1.22,;24.36,.11,;22.82,.11,;22.05,1.44,;22.81,2.78,;22.04,4.11,;24.35,2.78,;25.12,4.12,;26.66,4.12,;24.35,5.45,;25.88,5.46,;22.05,-1.23,;22.82,-2.56,;25.13,-8.09,;24.34,-9.39,;22.79,-9.36,;21.99,-10.67,;22.72,-12.02,;24.27,-12.06,;25.06,-10.73,;23.58,-6.55,;22.81,-5.22,;22.81,-7.89,;28.2,-8.09,;28.97,-9.42,;28.72,-7.03,)|
Show InChI InChI=1S/C42H44N4O10/c1-39(2,3)55-37(53)43-29-21-17-27(18-22-29)33(47)45-41(35(49)50)31(25-13-9-7-10-14-25)42(36(51)52,32(41)26-15-11-8-12-16-26)46-34(48)28-19-23-30(24-20-28)44-38(54)56-40(4,5)6/h7-24,31-32H,1-6H3,(H,43,53)(H,44,54)(H,45,47)(H,46,48)(H,49,50)(H,51,52)/t31-,32+,41+,42-
PDB
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 cells


J Med Chem 55: 250-67 (2012)


Article DOI: 10.1021/jm201150j
BindingDB Entry DOI: 10.7270/Q2M046JC
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)
BDBM50393564
PNG
(CHEMBL2158392)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2ccccc2)[C@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H]1c1ccccc1)C(O)=O)C(O)=O |r,wU:18.19,25.27,43.47,17.17,wD:25.54,17.57,(30.33,-18.46,;31.67,-17.7,;33,-18.48,;31.68,-19.24,;31.68,-16.16,;33.02,-15.4,;34.35,-16.18,;33.03,-13.86,;31.7,-13.08,;30.36,-13.84,;29.03,-13.06,;29.05,-11.52,;30.38,-10.76,;31.71,-11.53,;27.73,-10.74,;26.39,-11.5,;27.74,-9.2,;26.67,-8.09,;26.67,-6.55,;27.99,-5.76,;29.33,-6.51,;30.65,-5.72,;30.62,-4.17,;29.27,-3.43,;27.95,-4.22,;25.13,-6.55,;24.36,-5.22,;25.13,-3.88,;26.67,-3.88,;24.36,-2.55,;25.13,-1.22,;24.36,.11,;22.82,.11,;22.05,1.44,;22.81,2.78,;22.04,4.11,;24.35,2.78,;25.12,4.12,;26.66,4.12,;24.35,5.45,;25.88,5.46,;22.05,-1.23,;22.82,-2.56,;25.13,-8.09,;24.34,-9.39,;22.79,-9.36,;21.99,-10.67,;22.72,-12.02,;24.27,-12.06,;25.06,-10.73,;23.58,-6.55,;22.81,-5.22,;22.81,-7.89,;28.2,-8.09,;28.97,-9.42,;28.72,-7.03,)|
Show InChI InChI=1S/C42H44N4O10/c1-39(2,3)55-37(53)43-29-21-17-27(18-22-29)33(47)45-41(35(49)50)31(25-13-9-7-10-14-25)42(36(51)52,32(41)26-15-11-8-12-16-26)46-34(48)28-19-23-30(24-20-28)44-38(54)56-40(4,5)6/h7-24,31-32H,1-6H3,(H,43,53)(H,44,54)(H,45,47)(H,46,48)(H,49,50)(H,51,52)/t31-,32+,41+,42-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



The National Center for Drug Screening

Curated by ChEMBL


Assay Description
Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP ...


J Med Chem 55: 250-67 (2012)


Article DOI: 10.1021/jm201150j
BindingDB Entry DOI: 10.7270/Q2M046JC
More data for this
Ligand-Target Pair