Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50007223' 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)) | BDBM50007223
(CHEMBL3238215)Show SMILES CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC1(C)CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(1.56,-50.44,;2.75,-51.42,;1.3,-51.96,;2.49,-52.94,;4.19,-50.89,;4.45,-49.37,;5.9,-48.84,;7.08,-49.83,;6.82,-51.35,;5.37,-51.88,;7.5,-48.35,;9.04,-48.29,;9.57,-49.74,;11.05,-50.15,;8.36,-50.69,;8.42,-52.22,;7.09,-53.01,;7.11,-54.55,;5.79,-55.33,;4.44,-54.58,;6.55,-56.66,;5.02,-56.65,;9.74,-53.01,;9.72,-54.55,;11.04,-55.34,;12.39,-54.59,;12.41,-53.05,;11.09,-52.26,;13.72,-55.38,;13.69,-56.92,;15.05,-54.62,;16.38,-55.41,;17.72,-54.65,;19.12,-55.29,;20.16,-54.16,;19.41,-52.82,;17.9,-53.12,;9.82,-46.96,;9.06,-45.62,;9.83,-44.29,;9.07,-42.96,;11.37,-44.3,;12.14,-45.64,;13.68,-45.65,;11.36,-46.97,)| Show InChI InChI=1S/C34H41Cl2N7O2/c1-32(2,3)24-9-13-34(14-10-24)38-29(23-17-25(35)19-26(36)18-23)31(45)43(34)27(11-12-33(4)15-16-33)21-5-7-22(8-6-21)30(44)37-20-28-39-41-42-40-28/h5-8,17-19,24,27H,9-16,20H2,1-4H3,(H,37,44)(H,39,40,41,42)/t24-,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 | 17 | 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)) | BDBM50007223
(CHEMBL3238215)Show SMILES CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC1(C)CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(1.56,-50.44,;2.75,-51.42,;1.3,-51.96,;2.49,-52.94,;4.19,-50.89,;4.45,-49.37,;5.9,-48.84,;7.08,-49.83,;6.82,-51.35,;5.37,-51.88,;7.5,-48.35,;9.04,-48.29,;9.57,-49.74,;11.05,-50.15,;8.36,-50.69,;8.42,-52.22,;7.09,-53.01,;7.11,-54.55,;5.79,-55.33,;4.44,-54.58,;6.55,-56.66,;5.02,-56.65,;9.74,-53.01,;9.72,-54.55,;11.04,-55.34,;12.39,-54.59,;12.41,-53.05,;11.09,-52.26,;13.72,-55.38,;13.69,-56.92,;15.05,-54.62,;16.38,-55.41,;17.72,-54.65,;19.12,-55.29,;20.16,-54.16,;19.41,-52.82,;17.9,-53.12,;9.82,-46.96,;9.06,-45.62,;9.83,-44.29,;9.07,-42.96,;11.37,-44.3,;12.14,-45.64,;13.68,-45.65,;11.36,-46.97,)| Show InChI InChI=1S/C34H41Cl2N7O2/c1-32(2,3)24-9-13-34(14-10-24)38-29(23-17-25(35)19-26(36)18-23)31(45)43(34)27(11-12-33(4)15-16-33)21-5-7-22(8-6-21)30(44)37-20-28-39-41-42-40-28/h5-8,17-19,24,27H,9-16,20H2,1-4H3,(H,37,44)(H,39,40,41,42)/t24-,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 | 100 | 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) | BDBM50007223
(CHEMBL3238215)Show SMILES CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC1(C)CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(1.56,-50.44,;2.75,-51.42,;1.3,-51.96,;2.49,-52.94,;4.19,-50.89,;4.45,-49.37,;5.9,-48.84,;7.08,-49.83,;6.82,-51.35,;5.37,-51.88,;7.5,-48.35,;9.04,-48.29,;9.57,-49.74,;11.05,-50.15,;8.36,-50.69,;8.42,-52.22,;7.09,-53.01,;7.11,-54.55,;5.79,-55.33,;4.44,-54.58,;6.55,-56.66,;5.02,-56.65,;9.74,-53.01,;9.72,-54.55,;11.04,-55.34,;12.39,-54.59,;12.41,-53.05,;11.09,-52.26,;13.72,-55.38,;13.69,-56.92,;15.05,-54.62,;16.38,-55.41,;17.72,-54.65,;19.12,-55.29,;20.16,-54.16,;19.41,-52.82,;17.9,-53.12,;9.82,-46.96,;9.06,-45.62,;9.83,-44.29,;9.07,-42.96,;11.37,-44.3,;12.14,-45.64,;13.68,-45.65,;11.36,-46.97,)| Show InChI InChI=1S/C34H41Cl2N7O2/c1-32(2,3)24-9-13-34(14-10-24)38-29(23-17-25(35)19-26(36)18-23)31(45)43(34)27(11-12-33(4)15-16-33)21-5-7-22(8-6-21)30(44)37-20-28-39-41-42-40-28/h5-8,17-19,24,27H,9-16,20H2,1-4H3,(H,37,44)(H,39,40,41,42)/t24-,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 | 110 | 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 | |
Search and Browse
