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SMILES: CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=UDQQEELCEYXDFO-RGRSNQPISA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50007241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
PDB
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Article
PubMed
n/an/a 31n/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-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
PDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in CHO cells assessed as inhibition of GLP-1-stimulated cAMP production preincubated for 30 mins follow...


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))
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 52n/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)
BDBM50007241
PNG
(CHEMBL3238229)
Show SMILES CC(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:14.16,3.2,wD:6.5,c:10,(22.68,-7.09,;24,-7.87,;23.99,-9.41,;25.34,-7.11,;25.6,-5.59,;27.05,-5.06,;28.24,-6.05,;27.98,-7.57,;26.53,-8.1,;28.65,-4.57,;30.2,-4.51,;30.73,-5.96,;32.21,-6.37,;29.52,-6.91,;29.57,-8.44,;28.25,-9.23,;28.27,-10.77,;26.94,-11.56,;26.96,-13.1,;25.6,-10.8,;25.6,-12.31,;30.9,-9.23,;30.87,-10.78,;32.2,-11.56,;33.55,-10.81,;33.57,-9.27,;32.24,-8.48,;34.87,-11.6,;34.85,-13.14,;36.21,-10.85,;37.53,-11.63,;38.88,-10.88,;40.27,-11.51,;41.32,-10.38,;40.56,-9.04,;39.05,-9.34,;30.97,-3.18,;30.21,-1.85,;30.99,-.51,;30.22,.83,;32.53,-.52,;33.29,-1.86,;34.83,-1.87,;32.52,-3.19,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)21-10-14-33(15-11-21)37-29(24-16-25(34)18-26(35)17-24)31(44)42(33)27(12-13-32(3,4)5)22-6-8-23(9-7-22)30(43)36-19-28-38-40-41-39-28/h6-9,16-18,20-21,27H,10-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t21-,27-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/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