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BDBM50007211 CHEMBL3237923

SMILES: CCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1

InChI Key: InChIKey=SGDOKPUSXQWQSV-XAPASHSMSA-N

Data: 4 IC50

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 = 50007211   
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))
BDBM50007211
PNG
(CHEMBL3237923)
Show SMILES CCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:12.16,3.2,wD:9.10,c:7,(54.02,-13.47,;55.35,-12.68,;55.33,-11.14,;56.65,-10.36,;56.6,-8.82,;57.81,-7.87,;59.29,-8.29,;57.28,-6.42,;55.73,-6.48,;55.32,-7.96,;54.13,-6.98,;52.69,-7.51,;52.42,-9.02,;53.61,-10.01,;55.06,-9.48,;50.98,-9.56,;49.8,-8.57,;49.54,-10.09,;50.72,-11.07,;58.05,-5.09,;57.29,-3.76,;58.07,-2.43,;57.3,-1.09,;59.61,-2.43,;60.37,-3.78,;61.91,-3.78,;59.6,-5.11,;57.98,-11.14,;57.96,-12.69,;59.28,-13.47,;60.63,-12.72,;60.65,-11.18,;59.32,-10.4,;61.95,-13.51,;61.93,-15.05,;63.29,-12.76,;64.62,-13.54,;65.96,-12.79,;67.35,-13.42,;68.4,-12.29,;67.64,-10.95,;66.13,-11.25,)|
Show InChI InChI=1S/C31H37Cl2N7O2/c1-5-6-25(19-7-9-20(10-8-19)28(41)34-18-26-36-38-39-37-26)40-29(42)27(21-15-23(32)17-24(33)16-21)35-31(40)13-11-22(12-14-31)30(2,3)4/h7-10,15-17,22,25H,5-6,11-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t22-,25-,31-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 55n/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 (GLP-1)


(Homo sapiens (Human))
BDBM50007211
PNG
(CHEMBL3237923)
Show SMILES CCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:12.16,3.2,wD:9.10,c:7,(54.02,-13.47,;55.35,-12.68,;55.33,-11.14,;56.65,-10.36,;56.6,-8.82,;57.81,-7.87,;59.29,-8.29,;57.28,-6.42,;55.73,-6.48,;55.32,-7.96,;54.13,-6.98,;52.69,-7.51,;52.42,-9.02,;53.61,-10.01,;55.06,-9.48,;50.98,-9.56,;49.8,-8.57,;49.54,-10.09,;50.72,-11.07,;58.05,-5.09,;57.29,-3.76,;58.07,-2.43,;57.3,-1.09,;59.61,-2.43,;60.37,-3.78,;61.91,-3.78,;59.6,-5.11,;57.98,-11.14,;57.96,-12.69,;59.28,-13.47,;60.63,-12.72,;60.65,-11.18,;59.32,-10.4,;61.95,-13.51,;61.93,-15.05,;63.29,-12.76,;64.62,-13.54,;65.96,-12.79,;67.35,-13.42,;68.4,-12.29,;67.64,-10.95,;66.13,-11.25,)|
Show InChI InChI=1S/C31H37Cl2N7O2/c1-5-6-25(19-7-9-20(10-8-19)28(41)34-18-26-36-38-39-37-26)40-29(42)27(21-15-23(32)17-24(33)16-21)35-31(40)13-11-22(12-14-31)30(2,3)4/h7-10,15-17,22,25H,5-6,11-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t22-,25-,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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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))
BDBM50007211
PNG
(CHEMBL3237923)
Show SMILES CCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:12.16,3.2,wD:9.10,c:7,(54.02,-13.47,;55.35,-12.68,;55.33,-11.14,;56.65,-10.36,;56.6,-8.82,;57.81,-7.87,;59.29,-8.29,;57.28,-6.42,;55.73,-6.48,;55.32,-7.96,;54.13,-6.98,;52.69,-7.51,;52.42,-9.02,;53.61,-10.01,;55.06,-9.48,;50.98,-9.56,;49.8,-8.57,;49.54,-10.09,;50.72,-11.07,;58.05,-5.09,;57.29,-3.76,;58.07,-2.43,;57.3,-1.09,;59.61,-2.43,;60.37,-3.78,;61.91,-3.78,;59.6,-5.11,;57.98,-11.14,;57.96,-12.69,;59.28,-13.47,;60.63,-12.72,;60.65,-11.18,;59.32,-10.4,;61.95,-13.51,;61.93,-15.05,;63.29,-12.76,;64.62,-13.54,;65.96,-12.79,;67.35,-13.42,;68.4,-12.29,;67.64,-10.95,;66.13,-11.25,)|
Show InChI InChI=1S/C31H37Cl2N7O2/c1-5-6-25(19-7-9-20(10-8-19)28(41)34-18-26-36-38-39-37-26)40-29(42)27(21-15-23(32)17-24(33)16-21)35-31(40)13-11-22(12-14-31)30(2,3)4/h7-10,15-17,22,25H,5-6,11-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t22-,25-,31-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 220n/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)
BDBM50007211
PNG
(CHEMBL3237923)
Show SMILES CCC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:12.16,3.2,wD:9.10,c:7,(54.02,-13.47,;55.35,-12.68,;55.33,-11.14,;56.65,-10.36,;56.6,-8.82,;57.81,-7.87,;59.29,-8.29,;57.28,-6.42,;55.73,-6.48,;55.32,-7.96,;54.13,-6.98,;52.69,-7.51,;52.42,-9.02,;53.61,-10.01,;55.06,-9.48,;50.98,-9.56,;49.8,-8.57,;49.54,-10.09,;50.72,-11.07,;58.05,-5.09,;57.29,-3.76,;58.07,-2.43,;57.3,-1.09,;59.61,-2.43,;60.37,-3.78,;61.91,-3.78,;59.6,-5.11,;57.98,-11.14,;57.96,-12.69,;59.28,-13.47,;60.63,-12.72,;60.65,-11.18,;59.32,-10.4,;61.95,-13.51,;61.93,-15.05,;63.29,-12.76,;64.62,-13.54,;65.96,-12.79,;67.35,-13.42,;68.4,-12.29,;67.64,-10.95,;66.13,-11.25,)|
Show InChI InChI=1S/C31H37Cl2N7O2/c1-5-6-25(19-7-9-20(10-8-19)28(41)34-18-26-36-38-39-37-26)40-29(42)27(21-15-23(32)17-24(33)16-21)35-31(40)13-11-22(12-14-31)30(2,3)4/h7-10,15-17,22,25H,5-6,11-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t22-,25-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/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