Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50393571' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glucagon-like peptide 1 receptor
(Rattus norvegicus) | BDBM50393571
(CHEMBL2158489)Show SMILES COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(O)=O)C(O)=O |r,wU:51.57,34.37,17.19,16.17,wD:51.74,17.77,(33.17,-34.99,;31.85,-35.78,;30.5,-35.03,;29.18,-35.82,;27.84,-35.07,;27.8,-33.54,;29.12,-32.74,;30.47,-33.49,;31.79,-32.7,;31.77,-31.16,;30.42,-30.41,;33.01,-30.25,;34.48,-30.73,;35.39,-29.48,;34.48,-28.24,;33.02,-28.71,;26.52,-35.86,;26.52,-37.4,;27.59,-38.52,;27.58,-40.06,;26.24,-40.82,;28.91,-40.84,;28.89,-42.37,;30.21,-43.15,;31.55,-42.4,;32.88,-43.17,;32.87,-44.71,;34.2,-45.49,;31.53,-45.48,;30.21,-44.7,;31.52,-47.02,;30.04,-45.87,;31.56,-40.85,;30.23,-40.07,;24.98,-37.4,;24.19,-38.7,;24.91,-40.05,;24.12,-41.37,;22.58,-41.34,;21.78,-42.65,;22.51,-44,;24.05,-44.04,;21.57,-45.22,;20.02,-45.18,;19.5,-46.63,;20.72,-47.57,;21.99,-46.7,;21.84,-39.98,;20.3,-39.94,;19.56,-38.59,;22.64,-38.67,;24.98,-35.87,;24.21,-34.53,;24.98,-33.2,;26.52,-33.2,;24.21,-31.86,;24.98,-30.54,;24.21,-29.2,;22.67,-29.2,;21.9,-27.87,;22.67,-26.54,;21.89,-25.2,;24.21,-26.53,;24.98,-27.87,;24.97,-25.2,;25.74,-26.53,;21.9,-30.55,;22.68,-31.87,;23.43,-35.87,;22.66,-34.53,;22.67,-37.2,;28.05,-37.4,;28.83,-38.74,;28.57,-36.34,)| Show InChI InChI=1S/C54H52N4O14S2/c1-51(2,3)47(63)55-33-19-13-29(14-20-33)43(59)57-53(49(65)66)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-73-39)54(50(67)68,58-44(60)30-15-21-34(22-16-30)56-48(64)52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-74-40/h9-28,41-42H,1-8H3,(H,55,63)(H,56,64)(H,57,59)(H,58,60)(H,65,66)(H,67,68)/t41-,42+,53+,54- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50393571
(CHEMBL2158489)Show SMILES COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(O)=O)C(O)=O |r,wU:51.57,34.37,17.19,16.17,wD:51.74,17.77,(33.17,-34.99,;31.85,-35.78,;30.5,-35.03,;29.18,-35.82,;27.84,-35.07,;27.8,-33.54,;29.12,-32.74,;30.47,-33.49,;31.79,-32.7,;31.77,-31.16,;30.42,-30.41,;33.01,-30.25,;34.48,-30.73,;35.39,-29.48,;34.48,-28.24,;33.02,-28.71,;26.52,-35.86,;26.52,-37.4,;27.59,-38.52,;27.58,-40.06,;26.24,-40.82,;28.91,-40.84,;28.89,-42.37,;30.21,-43.15,;31.55,-42.4,;32.88,-43.17,;32.87,-44.71,;34.2,-45.49,;31.53,-45.48,;30.21,-44.7,;31.52,-47.02,;30.04,-45.87,;31.56,-40.85,;30.23,-40.07,;24.98,-37.4,;24.19,-38.7,;24.91,-40.05,;24.12,-41.37,;22.58,-41.34,;21.78,-42.65,;22.51,-44,;24.05,-44.04,;21.57,-45.22,;20.02,-45.18,;19.5,-46.63,;20.72,-47.57,;21.99,-46.7,;21.84,-39.98,;20.3,-39.94,;19.56,-38.59,;22.64,-38.67,;24.98,-35.87,;24.21,-34.53,;24.98,-33.2,;26.52,-33.2,;24.21,-31.86,;24.98,-30.54,;24.21,-29.2,;22.67,-29.2,;21.9,-27.87,;22.67,-26.54,;21.89,-25.2,;24.21,-26.53,;24.98,-27.87,;24.97,-25.2,;25.74,-26.53,;21.9,-30.55,;22.68,-31.87,;23.43,-35.87,;22.66,-34.53,;22.67,-37.2,;28.05,-37.4,;28.83,-38.74,;28.57,-36.34,)| Show InChI InChI=1S/C54H52N4O14S2/c1-51(2,3)47(63)55-33-19-13-29(14-20-33)43(59)57-53(49(65)66)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-73-39)54(50(67)68,58-44(60)30-15-21-34(22-16-30)56-48(64)52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-74-40/h9-28,41-42H,1-8H3,(H,55,63)(H,56,64)(H,57,59)(H,58,60)(H,65,66)(H,67,68)/t41-,42+,53+,54- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/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 | |
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