Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50007233' 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 receptor
(Homo sapiens (Human)) | BDBM50007233
(CHEMBL3238223)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(29.88,-44.48,;29.86,-42.94,;28.52,-42.19,;28.53,-43.7,;31.19,-42.16,;31.17,-40.62,;32.49,-39.83,;32.44,-38.3,;33.65,-37.35,;35.13,-37.76,;33.12,-35.9,;31.58,-35.96,;31.16,-37.44,;29.97,-36.45,;28.53,-36.98,;28.26,-38.5,;29.45,-39.49,;30.9,-38.95,;26.83,-39.03,;25.64,-38.05,;25.38,-39.57,;26.56,-40.55,;33.9,-34.57,;33.13,-33.23,;33.91,-31.9,;35.45,-31.91,;36.21,-33.25,;35.44,-34.58,;37.75,-33.26,;38.51,-34.6,;38.53,-31.93,;39.29,-33.26,;33.82,-40.62,;33.8,-42.16,;35.12,-42.95,;36.47,-42.2,;36.49,-40.66,;35.16,-39.87,;37.79,-42.99,;37.77,-44.53,;39.13,-42.23,;40.46,-43.02,;41.8,-42.26,;43.2,-42.9,;44.24,-41.77,;43.48,-40.43,;41.97,-40.73,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(24-8-7-9-26(20-24)35(36,37)38)40-34(45)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,39,46)(H,41,42,43,44)/t25-,27-,34-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis |
J Med Chem 57: 2601-10 (2014)
Article DOI: 10.1021/jm401858f BindingDB Entry DOI: 10.7270/Q20V8F9P |
More data for this Ligand-Target Pair | |
Glucagon receptor
(Mus musculus) | BDBM50007233
(CHEMBL3238223)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(29.88,-44.48,;29.86,-42.94,;28.52,-42.19,;28.53,-43.7,;31.19,-42.16,;31.17,-40.62,;32.49,-39.83,;32.44,-38.3,;33.65,-37.35,;35.13,-37.76,;33.12,-35.9,;31.58,-35.96,;31.16,-37.44,;29.97,-36.45,;28.53,-36.98,;28.26,-38.5,;29.45,-39.49,;30.9,-38.95,;26.83,-39.03,;25.64,-38.05,;25.38,-39.57,;26.56,-40.55,;33.9,-34.57,;33.13,-33.23,;33.91,-31.9,;35.45,-31.91,;36.21,-33.25,;35.44,-34.58,;37.75,-33.26,;38.51,-34.6,;38.53,-31.93,;39.29,-33.26,;33.82,-40.62,;33.8,-42.16,;35.12,-42.95,;36.47,-42.2,;36.49,-40.66,;35.16,-39.87,;37.79,-42.99,;37.77,-44.53,;39.13,-42.23,;40.46,-43.02,;41.8,-42.26,;43.2,-42.9,;44.24,-41.77,;43.48,-40.43,;41.97,-40.73,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(24-8-7-9-26(20-24)35(36,37)38)40-34(45)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,39,46)(H,41,42,43,44)/t25-,27-,34-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]-glucagon from GCGR in mouse liver membranes after 60 mins by scintillation counting analysis |
J Med Chem 57: 2601-10 (2014)
Article DOI: 10.1021/jm401858f BindingDB Entry DOI: 10.7270/Q20V8F9P |
More data for this Ligand-Target Pair | |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50007233
(CHEMBL3238223)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(29.88,-44.48,;29.86,-42.94,;28.52,-42.19,;28.53,-43.7,;31.19,-42.16,;31.17,-40.62,;32.49,-39.83,;32.44,-38.3,;33.65,-37.35,;35.13,-37.76,;33.12,-35.9,;31.58,-35.96,;31.16,-37.44,;29.97,-36.45,;28.53,-36.98,;28.26,-38.5,;29.45,-39.49,;30.9,-38.95,;26.83,-39.03,;25.64,-38.05,;25.38,-39.57,;26.56,-40.55,;33.9,-34.57,;33.13,-33.23,;33.91,-31.9,;35.45,-31.91,;36.21,-33.25,;35.44,-34.58,;37.75,-33.26,;38.51,-34.6,;38.53,-31.93,;39.29,-33.26,;33.82,-40.62,;33.8,-42.16,;35.12,-42.95,;36.47,-42.2,;36.49,-40.66,;35.16,-39.87,;37.79,-42.99,;37.77,-44.53,;39.13,-42.23,;40.46,-43.02,;41.8,-42.26,;43.2,-42.9,;44.24,-41.77,;43.48,-40.43,;41.97,-40.73,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)17-16-27(22-10-12-23(13-11-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(24-8-7-9-26(20-24)35(36,37)38)40-34(45)18-14-25(15-19-34)33(4,5)6/h7-13,20,25,27H,14-19,21H2,1-6H3,(H,39,46)(H,41,42,43,44)/t25-,27-,34-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-stimulated cAMP production preincubated for 30 mins follo... |
J Med Chem 57: 2601-10 (2014)
Article DOI: 10.1021/jm401858f BindingDB Entry DOI: 10.7270/Q20V8F9P |
More data for this Ligand-Target Pair | |