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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50202041'   
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 receptor


(Homo sapiens (Human))
BDBM50202041
PNG
(CHEMBL375167 | trans-3-{4-[3-(3,5-Bis(trifluoromet...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:4.3,wD:7.10,(30.95,-37.95,;30.96,-39.49,;32.5,-39.49,;29.42,-39.5,;30.95,-41.03,;32.28,-41.81,;32.28,-43.34,;30.94,-44.11,;29.61,-43.35,;29.62,-41.8,;30.95,-45.65,;29.61,-46.42,;28.28,-45.65,;26.94,-46.42,;25.61,-45.65,;25.61,-44.11,;26.94,-43.34,;28.27,-44.1,;24.28,-43.34,;24.28,-41.8,;22.94,-44.11,;21.61,-43.34,;20.27,-44.11,;18.94,-43.34,;18.94,-41.8,;17.61,-44.11,;32.28,-46.42,;32.28,-47.96,;33.61,-45.64,;34.95,-46.41,;36.27,-45.64,;37.6,-46.4,;37.61,-47.95,;36.28,-48.72,;34.94,-47.95,;36.28,-50.26,;36.27,-51.79,;37.82,-50.26,;34.74,-50.26,;38.93,-45.62,;40.26,-44.84,;39.71,-46.95,;38.15,-44.3,)|
Show InChI InChI=1S/C30H35F6N3O4/c1-28(2,3)20-8-10-24(11-9-20)39(17-18-4-6-19(7-5-18)26(42)37-13-12-25(40)41)27(43)38-23-15-21(29(31,32)33)14-22(16-23)30(34,35)36/h4-7,14-16,20,24H,8-13,17H2,1-3H3,(H,37,42)(H,38,43)(H,40,41)/t20-,24-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to human cloned GluR expressed in BHK cells


J Med Chem 51: 5387-96 (2008)


Article DOI: 10.1021/jm7015599
BindingDB Entry DOI: 10.7270/Q2X34X9R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50202041
PNG
(CHEMBL375167 | trans-3-{4-[3-(3,5-Bis(trifluoromet...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:4.3,wD:7.10,(30.95,-37.95,;30.96,-39.49,;32.5,-39.49,;29.42,-39.5,;30.95,-41.03,;32.28,-41.81,;32.28,-43.34,;30.94,-44.11,;29.61,-43.35,;29.62,-41.8,;30.95,-45.65,;29.61,-46.42,;28.28,-45.65,;26.94,-46.42,;25.61,-45.65,;25.61,-44.11,;26.94,-43.34,;28.27,-44.1,;24.28,-43.34,;24.28,-41.8,;22.94,-44.11,;21.61,-43.34,;20.27,-44.11,;18.94,-43.34,;18.94,-41.8,;17.61,-44.11,;32.28,-46.42,;32.28,-47.96,;33.61,-45.64,;34.95,-46.41,;36.27,-45.64,;37.6,-46.4,;37.61,-47.95,;36.28,-48.72,;34.94,-47.95,;36.28,-50.26,;36.27,-51.79,;37.82,-50.26,;34.74,-50.26,;38.93,-45.62,;40.26,-44.84,;39.71,-46.95,;38.15,-44.3,)|
Show InChI InChI=1S/C30H35F6N3O4/c1-28(2,3)20-8-10-24(11-9-20)39(17-18-4-6-19(7-5-18)26(42)37-13-12-25(40)41)27(43)38-23-15-21(29(31,32)33)14-22(16-23)30(34,35)36/h4-7,14-16,20,24H,8-13,17H2,1-3H3,(H,37,42)(H,38,43)(H,40,41)/t20-,24-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human cloned glucagon receptor expressed in BHK cells


J Med Chem 50: 113-28 (2007)


Article DOI: 10.1021/jm058026u
BindingDB Entry DOI: 10.7270/Q26M36GK
More data for this
Ligand-Target Pair