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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50244122'   
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))
BDBM50244122
PNG
(CHEMBL459457 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:26.29,wD:29.36,(21.92,-38.87,;22.27,-37.38,;23.7,-36.78,;23.58,-35.25,;22.08,-34.89,;21.34,-33.54,;19.8,-33.5,;19,-34.82,;19.74,-36.17,;21.27,-36.2,;25.03,-37.56,;25.02,-39.1,;26.35,-39.88,;27.68,-39.11,;29.01,-39.89,;29,-41.43,;27.66,-42.19,;26.33,-41.41,;30.33,-42.21,;30.32,-43.75,;31.67,-41.45,;33,-42.22,;33.52,-43.67,;35.06,-43.64,;35.5,-42.16,;34.23,-41.29,;26.36,-36.8,;26.36,-35.26,;27.71,-34.5,;29.04,-35.28,;29.02,-36.82,;27.69,-37.58,;30.38,-34.53,;31.7,-33.74,;31.15,-35.86,;29.61,-33.19,)|
Show InChI InChI=1S/C27H34N8O/c1-27(2,3)20-13-15-21(16-14-20)35(26-28-22-7-5-6-8-23(22)34(26)4)17-18-9-11-19(12-10-18)24(36)29-25-30-32-33-31-25/h5-12,20-21H,13-17H2,1-4H3,(H2,29,30,31,32,33,36)/t20-,21-
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244122
PNG
(CHEMBL459457 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:26.29,wD:29.36,(21.92,-38.87,;22.27,-37.38,;23.7,-36.78,;23.58,-35.25,;22.08,-34.89,;21.34,-33.54,;19.8,-33.5,;19,-34.82,;19.74,-36.17,;21.27,-36.2,;25.03,-37.56,;25.02,-39.1,;26.35,-39.88,;27.68,-39.11,;29.01,-39.89,;29,-41.43,;27.66,-42.19,;26.33,-41.41,;30.33,-42.21,;30.32,-43.75,;31.67,-41.45,;33,-42.22,;33.52,-43.67,;35.06,-43.64,;35.5,-42.16,;34.23,-41.29,;26.36,-36.8,;26.36,-35.26,;27.71,-34.5,;29.04,-35.28,;29.02,-36.82,;27.69,-37.58,;30.38,-34.53,;31.7,-33.74,;31.15,-35.86,;29.61,-33.19,)|
Show InChI InChI=1S/C27H34N8O/c1-27(2,3)20-13-15-21(16-14-20)35(26-28-22-7-5-6-8-23(22)34(26)4)17-18-9-11-19(12-10-18)24(36)29-25-30-32-33-31-25/h5-12,20-21H,13-17H2,1-4H3,(H2,29,30,31,32,33,36)/t20-,21-
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair