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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50199496'   
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))
BDBM50199496
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(3,5-di...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(-2.67,-6.08,;-2.66,-4.55,;-1.12,-4.56,;-4.2,-4.55,;-2.66,-3.01,;-1.32,-2.24,;-1.31,-.69,;-2.64,.07,;-3.98,-.7,;-3.99,-2.23,;-2.64,1.61,;-1.3,2.38,;-.99,3.88,;.88,3.84,;1.35,2.39,;2.68,1.62,;2.69,.08,;1.36,-.69,;.02,.07,;.03,1.61,;4.03,-.69,;4.03,-2.23,;5.36,.08,;6.69,-.68,;8.02,.09,;9.36,-.68,;10.69,.1,;9.36,-2.22,;-3.97,2.38,;-3.97,3.92,;-5.31,1.61,;-6.64,2.37,;-6.65,3.93,;-7.99,4.69,;-7.99,6.23,;-9.31,3.92,;-9.31,2.37,;-10.65,1.61,;-7.98,1.6,)|
Show InChI InChI=1S/C30H37Cl2N3O4/c1-30(2,3)20-6-8-24(9-7-20)35(29(39)34-23-16-21(31)15-22(32)17-23)26-11-5-18-14-19(4-10-25(18)26)28(38)33-13-12-27(36)37/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t20-,24-,26?
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199496
PNG
(3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(3,5-di...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(Cl)cc(Cl)c1 |w:11.11,wU:7.10,wD:4.3,(-2.67,-6.08,;-2.66,-4.55,;-1.12,-4.56,;-4.2,-4.55,;-2.66,-3.01,;-1.32,-2.24,;-1.31,-.69,;-2.64,.07,;-3.98,-.7,;-3.99,-2.23,;-2.64,1.61,;-1.3,2.38,;-.99,3.88,;.88,3.84,;1.35,2.39,;2.68,1.62,;2.69,.08,;1.36,-.69,;.02,.07,;.03,1.61,;4.03,-.69,;4.03,-2.23,;5.36,.08,;6.69,-.68,;8.02,.09,;9.36,-.68,;10.69,.1,;9.36,-2.22,;-3.97,2.38,;-3.97,3.92,;-5.31,1.61,;-6.64,2.37,;-6.65,3.93,;-7.99,4.69,;-7.99,6.23,;-9.31,3.92,;-9.31,2.37,;-10.65,1.61,;-7.98,1.6,)|
Show InChI InChI=1S/C30H37Cl2N3O4/c1-30(2,3)20-6-8-24(9-7-20)35(29(39)34-23-16-21(31)15-22(32)17-23)26-11-5-18-14-19(4-10-25(18)26)28(38)33-13-12-27(36)37/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t20-,24-,26?
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair