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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon receptor' and Ligand = 'BDBM50007417'   
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))
BDBM50007417
PNG
(CHEMBL3237905)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(59.7,-43.26,;61.02,-42.48,;60.97,-40.94,;62.18,-39.99,;63.65,-40.41,;61.65,-38.54,;60.1,-38.61,;59.69,-40.08,;58.5,-39.1,;57.05,-39.63,;56.79,-41.15,;57.98,-42.13,;59.42,-41.6,;55.35,-41.68,;54.17,-40.69,;53.9,-42.21,;55.09,-43.2,;62.42,-37.21,;63.96,-37.23,;64.74,-35.9,;63.98,-34.56,;64.76,-33.23,;62.43,-34.55,;61.67,-33.21,;61.66,-35.88,;62.34,-43.26,;62.32,-44.81,;63.65,-45.59,;64.99,-44.84,;65.01,-43.3,;63.69,-42.52,;66.32,-45.63,;66.3,-47.17,;67.66,-44.88,;68.98,-45.66,;70.32,-44.91,;71.65,-45.69,;72.99,-44.94,;71.63,-47.23,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-24(32)23(31)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 44n/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))
BDBM50007417
PNG
(CHEMBL3237905)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(59.7,-43.26,;61.02,-42.48,;60.97,-40.94,;62.18,-39.99,;63.65,-40.41,;61.65,-38.54,;60.1,-38.61,;59.69,-40.08,;58.5,-39.1,;57.05,-39.63,;56.79,-41.15,;57.98,-42.13,;59.42,-41.6,;55.35,-41.68,;54.17,-40.69,;53.9,-42.21,;55.09,-43.2,;62.42,-37.21,;63.96,-37.23,;64.74,-35.9,;63.98,-34.56,;64.76,-33.23,;62.43,-34.55,;61.67,-33.21,;61.66,-35.88,;62.34,-43.26,;62.32,-44.81,;63.65,-45.59,;64.99,-44.84,;65.01,-43.3,;63.69,-42.52,;66.32,-45.63,;66.3,-47.17,;67.66,-44.88,;68.98,-45.66,;70.32,-44.91,;71.65,-45.69,;72.99,-44.94,;71.63,-47.23,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-24(32)23(31)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 440n/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)
BDBM50007417
PNG
(CHEMBL3237905)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1ccc(F)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(59.7,-43.26,;61.02,-42.48,;60.97,-40.94,;62.18,-39.99,;63.65,-40.41,;61.65,-38.54,;60.1,-38.61,;59.69,-40.08,;58.5,-39.1,;57.05,-39.63,;56.79,-41.15,;57.98,-42.13,;59.42,-41.6,;55.35,-41.68,;54.17,-40.69,;53.9,-42.21,;55.09,-43.2,;62.42,-37.21,;63.96,-37.23,;64.74,-35.9,;63.98,-34.56,;64.76,-33.23,;62.43,-34.55,;61.67,-33.21,;61.66,-35.88,;62.34,-43.26,;62.32,-44.81,;63.65,-45.59,;64.99,-44.84,;65.01,-43.3,;63.69,-42.52,;66.32,-45.63,;66.3,-47.17,;67.66,-44.88,;68.98,-45.66,;70.32,-44.91,;71.65,-45.69,;72.99,-44.94,;71.63,-47.23,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-16-13-25(36)37)35-28(39)26(21-9-10-24(32)23(31)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 2.30E+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