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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50007426'   
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))
BDBM50007426
PNG
(CHEMBL3237908)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(38.24,-55.26,;39.57,-54.47,;39.51,-52.93,;40.72,-51.98,;42.2,-52.4,;40.19,-50.54,;38.65,-50.6,;38.23,-52.07,;37.05,-51.09,;35.6,-51.62,;35.34,-53.14,;36.52,-54.12,;37.97,-53.59,;33.9,-53.67,;32.71,-52.68,;32.45,-54.2,;33.64,-55.19,;40.97,-49.21,;42.51,-49.22,;43.28,-47.89,;42.52,-46.55,;43.3,-45.22,;40.98,-46.54,;40.21,-45.2,;40.21,-47.87,;40.89,-55.25,;40.87,-56.8,;42.19,-57.58,;43.54,-56.83,;43.56,-55.29,;42.24,-54.51,;44.86,-57.62,;44.84,-59.16,;46.2,-56.87,;47.53,-57.65,;48.87,-56.9,;50.19,-57.68,;51.54,-56.93,;50.18,-59.22,)|
Show InChI InChI=1S/C30H35Cl2N3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-23(31)24(32)17-21)34-30(35)14-11-22(12-15-30)29(2,3)4/h5-10,17-18,22H,11-16H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/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))
BDBM50007426
PNG
(CHEMBL3237908)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(38.24,-55.26,;39.57,-54.47,;39.51,-52.93,;40.72,-51.98,;42.2,-52.4,;40.19,-50.54,;38.65,-50.6,;38.23,-52.07,;37.05,-51.09,;35.6,-51.62,;35.34,-53.14,;36.52,-54.12,;37.97,-53.59,;33.9,-53.67,;32.71,-52.68,;32.45,-54.2,;33.64,-55.19,;40.97,-49.21,;42.51,-49.22,;43.28,-47.89,;42.52,-46.55,;43.3,-45.22,;40.98,-46.54,;40.21,-45.2,;40.21,-47.87,;40.89,-55.25,;40.87,-56.8,;42.19,-57.58,;43.54,-56.83,;43.56,-55.29,;42.24,-54.51,;44.86,-57.62,;44.84,-59.16,;46.2,-56.87,;47.53,-57.65,;48.87,-56.9,;50.19,-57.68,;51.54,-56.93,;50.18,-59.22,)|
Show InChI InChI=1S/C30H35Cl2N3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-23(31)24(32)17-21)34-30(35)14-11-22(12-15-30)29(2,3)4/h5-10,17-18,22H,11-16H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/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)
BDBM50007426
PNG
(CHEMBL3237908)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(38.24,-55.26,;39.57,-54.47,;39.51,-52.93,;40.72,-51.98,;42.2,-52.4,;40.19,-50.54,;38.65,-50.6,;38.23,-52.07,;37.05,-51.09,;35.6,-51.62,;35.34,-53.14,;36.52,-54.12,;37.97,-53.59,;33.9,-53.67,;32.71,-52.68,;32.45,-54.2,;33.64,-55.19,;40.97,-49.21,;42.51,-49.22,;43.28,-47.89,;42.52,-46.55,;43.3,-45.22,;40.98,-46.54,;40.21,-45.2,;40.21,-47.87,;40.89,-55.25,;40.87,-56.8,;42.19,-57.58,;43.54,-56.83,;43.56,-55.29,;42.24,-54.51,;44.86,-57.62,;44.84,-59.16,;46.2,-56.87,;47.53,-57.65,;48.87,-56.9,;50.19,-57.68,;51.54,-56.93,;50.18,-59.22,)|
Show InChI InChI=1S/C30H35Cl2N3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-23(31)24(32)17-21)34-30(35)14-11-22(12-15-30)29(2,3)4/h5-10,17-18,22H,11-16H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/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