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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50171818'   
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))
BDBM50171818
PNG
(4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorometho...)
Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(-1.28,-4.62,;-2.05,-3.29,;-2.82,-1.94,;-3.4,-4.04,;-.72,-2.5,;.17,-.87,;1.62,-1.75,;4.02,-1.82,;2.92,-2.9,;2.08,-2.5,;5.35,-2.59,;5.35,-4.13,;6.68,-4.88,;6.68,-6.44,;8.01,-7.21,;9.34,-6.44,;9.34,-4.88,;8.01,-4.11,;10.69,-7.21,;10.69,-8.75,;12.02,-6.42,;13.35,-7.19,;14.85,-6.84,;15.64,-8.14,;14.66,-9.32,;13.24,-8.73,;6.68,-1.8,;6.68,-.26,;8.01,-2.57,;9.34,-1.8,;9.34,-.28,;10.67,.49,;12,-.28,;13.33,.49,;14.68,-.26,;13.89,-1.59,;16.01,-1.03,;15.43,1.07,;12,-1.82,;10.67,-2.59,)|
Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,3)19-8-12-21(13-9-19)37(25(39)31-20-10-14-22(15-11-20)40-27(28,29)30)16-17-4-6-18(7-5-17)23(38)32-24-33-35-36-34-24/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon


Bioorg Med Chem Lett 15: 4564-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50171818
PNG
(4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorometho...)
Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(-1.28,-4.62,;-2.05,-3.29,;-2.82,-1.94,;-3.4,-4.04,;-.72,-2.5,;.17,-.87,;1.62,-1.75,;4.02,-1.82,;2.92,-2.9,;2.08,-2.5,;5.35,-2.59,;5.35,-4.13,;6.68,-4.88,;6.68,-6.44,;8.01,-7.21,;9.34,-6.44,;9.34,-4.88,;8.01,-4.11,;10.69,-7.21,;10.69,-8.75,;12.02,-6.42,;13.35,-7.19,;14.85,-6.84,;15.64,-8.14,;14.66,-9.32,;13.24,-8.73,;6.68,-1.8,;6.68,-.26,;8.01,-2.57,;9.34,-1.8,;9.34,-.28,;10.67,.49,;12,-.28,;13.33,.49,;14.68,-.26,;13.89,-1.59,;16.01,-1.03,;15.43,1.07,;12,-1.82,;10.67,-2.59,)|
Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,3)19-8-12-21(13-9-19)37(25(39)31-20-10-14-22(15-11-20)40-27(28,29)30)16-17-4-6-18(7-5-17)23(38)32-24-33-35-36-34-24/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells


Bioorg Med Chem Lett 15: 4564-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.101
BindingDB Entry DOI: 10.7270/Q26T0M5F
More data for this
Ligand-Target Pair