Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50007230' 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)) | BDBM50007230
(CHEMBL3238220)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(32.97,-30.73,;32.95,-29.19,;31.61,-28.44,;31.61,-29.95,;34.28,-28.41,;34.26,-26.87,;35.58,-26.08,;35.53,-24.55,;36.74,-23.6,;38.22,-24.01,;36.21,-22.15,;34.66,-22.21,;34.25,-23.69,;33.06,-22.7,;31.61,-23.23,;31.35,-24.75,;32.54,-25.74,;33.99,-25.2,;29.91,-25.28,;28.73,-24.3,;28.46,-25.82,;29.65,-26.8,;36.98,-20.82,;38.53,-20.83,;39.3,-19.5,;38.54,-18.16,;37,-18.15,;36.22,-19.48,;39.32,-16.83,;40.86,-16.84,;38.56,-15.49,;40.08,-15.48,;36.91,-26.87,;36.88,-28.41,;38.21,-29.2,;39.56,-28.45,;39.58,-26.91,;38.25,-26.12,;40.88,-29.24,;40.86,-30.78,;42.22,-28.48,;43.54,-29.27,;44.89,-28.51,;46.28,-29.15,;47.33,-28.02,;46.57,-26.68,;45.06,-26.98,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)18-17-27(22-7-9-24(10-8-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(23-11-13-26(14-12-23)35(36,37)38)40-34(45)19-15-25(16-20-34)33(4,5)6/h7-14,25,27H,15-21H2,1-6H3,(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
Similars
| Article
PubMed
| n/a | n/a | 7 | 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
(Homo sapiens (Human)) | BDBM50007230
(CHEMBL3238220)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(32.97,-30.73,;32.95,-29.19,;31.61,-28.44,;31.61,-29.95,;34.28,-28.41,;34.26,-26.87,;35.58,-26.08,;35.53,-24.55,;36.74,-23.6,;38.22,-24.01,;36.21,-22.15,;34.66,-22.21,;34.25,-23.69,;33.06,-22.7,;31.61,-23.23,;31.35,-24.75,;32.54,-25.74,;33.99,-25.2,;29.91,-25.28,;28.73,-24.3,;28.46,-25.82,;29.65,-26.8,;36.98,-20.82,;38.53,-20.83,;39.3,-19.5,;38.54,-18.16,;37,-18.15,;36.22,-19.48,;39.32,-16.83,;40.86,-16.84,;38.56,-15.49,;40.08,-15.48,;36.91,-26.87,;36.88,-28.41,;38.21,-29.2,;39.56,-28.45,;39.58,-26.91,;38.25,-26.12,;40.88,-29.24,;40.86,-30.78,;42.22,-28.48,;43.54,-29.27,;44.89,-28.51,;46.28,-29.15,;47.33,-28.02,;46.57,-26.68,;45.06,-26.98,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)18-17-27(22-7-9-24(10-8-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(23-11-13-26(14-12-23)35(36,37)38)40-34(45)19-15-25(16-20-34)33(4,5)6/h7-14,25,27H,15-21H2,1-6H3,(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
Similars
| Article
PubMed
| n/a | n/a | 160 | 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 | |
Glucagon receptor
(Mus musculus) | BDBM50007230
(CHEMBL3238220)Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:15.19,6.5,wD:12.13,c:10,(32.97,-30.73,;32.95,-29.19,;31.61,-28.44,;31.61,-29.95,;34.28,-28.41,;34.26,-26.87,;35.58,-26.08,;35.53,-24.55,;36.74,-23.6,;38.22,-24.01,;36.21,-22.15,;34.66,-22.21,;34.25,-23.69,;33.06,-22.7,;31.61,-23.23,;31.35,-24.75,;32.54,-25.74,;33.99,-25.2,;29.91,-25.28,;28.73,-24.3,;28.46,-25.82,;29.65,-26.8,;36.98,-20.82,;38.53,-20.83,;39.3,-19.5,;38.54,-18.16,;37,-18.15,;36.22,-19.48,;39.32,-16.83,;40.86,-16.84,;38.56,-15.49,;40.08,-15.48,;36.91,-26.87,;36.88,-28.41,;38.21,-29.2,;39.56,-28.45,;39.58,-26.91,;38.25,-26.12,;40.88,-29.24,;40.86,-30.78,;42.22,-28.48,;43.54,-29.27,;44.89,-28.51,;46.28,-29.15,;47.33,-28.02,;46.57,-26.68,;45.06,-26.98,)| Show InChI InChI=1S/C35H44F3N7O2/c1-32(2,3)18-17-27(22-7-9-24(10-8-22)30(46)39-21-28-41-43-44-42-28)45-31(47)29(23-11-13-26(14-12-23)35(36,37)38)40-34(45)19-15-25(16-20-34)33(4,5)6/h7-14,25,27H,15-21H2,1-6H3,(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
Similars
| Article
PubMed
| n/a | n/a | 190 | 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 | |
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