BindingDB logo
myBDB logout

BDBM50007214 CHEMBL3237925

SMILES: CCCCC[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=HFXHLNFJXQIPEB-YVNJXZLRSA-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 = 50007214   
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))
BDBM50007214
PNG
(CHEMBL3237925)
Show SMILES CCCCC[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:14.18,5.4,wD:11.12,c:9,(26.77,-29.67,;28.09,-28.88,;28.07,-27.34,;29.4,-26.56,;29.38,-25.02,;30.7,-24.23,;30.65,-22.69,;31.86,-21.74,;33.34,-22.16,;31.33,-20.3,;29.78,-20.36,;29.37,-21.83,;28.18,-20.85,;26.74,-21.38,;26.47,-22.9,;27.66,-23.88,;29.11,-23.35,;25.03,-23.43,;23.85,-22.45,;23.59,-23.96,;24.77,-24.95,;32.1,-18.97,;31.34,-17.63,;32.12,-16.3,;31.35,-14.97,;33.66,-16.31,;34.42,-17.65,;35.96,-17.66,;33.65,-18.98,;32.03,-25.02,;32.01,-26.56,;33.33,-27.35,;34.68,-26.59,;34.7,-25.06,;33.37,-24.27,;36,-27.39,;35.98,-28.92,;37.34,-26.63,;38.67,-27.42,;40.01,-26.66,;41.4,-27.3,;42.45,-26.17,;41.69,-24.82,;40.18,-25.13,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-5-6-7-8-27(21-9-11-22(12-10-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-25(34)19-26(35)18-23)37-33(42)15-13-24(14-16-33)32(2,3)4/h9-12,17-19,24,27H,5-8,13-16,20H2,1-4H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 24n/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))
BDBM50007214
PNG
(CHEMBL3237925)
Show SMILES CCCCC[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:14.18,5.4,wD:11.12,c:9,(26.77,-29.67,;28.09,-28.88,;28.07,-27.34,;29.4,-26.56,;29.38,-25.02,;30.7,-24.23,;30.65,-22.69,;31.86,-21.74,;33.34,-22.16,;31.33,-20.3,;29.78,-20.36,;29.37,-21.83,;28.18,-20.85,;26.74,-21.38,;26.47,-22.9,;27.66,-23.88,;29.11,-23.35,;25.03,-23.43,;23.85,-22.45,;23.59,-23.96,;24.77,-24.95,;32.1,-18.97,;31.34,-17.63,;32.12,-16.3,;31.35,-14.97,;33.66,-16.31,;34.42,-17.65,;35.96,-17.66,;33.65,-18.98,;32.03,-25.02,;32.01,-26.56,;33.33,-27.35,;34.68,-26.59,;34.7,-25.06,;33.37,-24.27,;36,-27.39,;35.98,-28.92,;37.34,-26.63,;38.67,-27.42,;40.01,-26.66,;41.4,-27.3,;42.45,-26.17,;41.69,-24.82,;40.18,-25.13,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-5-6-7-8-27(21-9-11-22(12-10-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-25(34)19-26(35)18-23)37-33(42)15-13-24(14-16-33)32(2,3)4/h9-12,17-19,24,27H,5-8,13-16,20H2,1-4H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50007214
PNG
(CHEMBL3237925)
Show SMILES CCCCC[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:14.18,5.4,wD:11.12,c:9,(26.77,-29.67,;28.09,-28.88,;28.07,-27.34,;29.4,-26.56,;29.38,-25.02,;30.7,-24.23,;30.65,-22.69,;31.86,-21.74,;33.34,-22.16,;31.33,-20.3,;29.78,-20.36,;29.37,-21.83,;28.18,-20.85,;26.74,-21.38,;26.47,-22.9,;27.66,-23.88,;29.11,-23.35,;25.03,-23.43,;23.85,-22.45,;23.59,-23.96,;24.77,-24.95,;32.1,-18.97,;31.34,-17.63,;32.12,-16.3,;31.35,-14.97,;33.66,-16.31,;34.42,-17.65,;35.96,-17.66,;33.65,-18.98,;32.03,-25.02,;32.01,-26.56,;33.33,-27.35,;34.68,-26.59,;34.7,-25.06,;33.37,-24.27,;36,-27.39,;35.98,-28.92,;37.34,-26.63,;38.67,-27.42,;40.01,-26.66,;41.4,-27.3,;42.45,-26.17,;41.69,-24.82,;40.18,-25.13,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-5-6-7-8-27(21-9-11-22(12-10-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-25(34)19-26(35)18-23)37-33(42)15-13-24(14-16-33)32(2,3)4/h9-12,17-19,24,27H,5-8,13-16,20H2,1-4H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/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)
BDBM50007214
PNG
(CHEMBL3237925)
Show SMILES CCCCC[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:14.18,5.4,wD:11.12,c:9,(26.77,-29.67,;28.09,-28.88,;28.07,-27.34,;29.4,-26.56,;29.38,-25.02,;30.7,-24.23,;30.65,-22.69,;31.86,-21.74,;33.34,-22.16,;31.33,-20.3,;29.78,-20.36,;29.37,-21.83,;28.18,-20.85,;26.74,-21.38,;26.47,-22.9,;27.66,-23.88,;29.11,-23.35,;25.03,-23.43,;23.85,-22.45,;23.59,-23.96,;24.77,-24.95,;32.1,-18.97,;31.34,-17.63,;32.12,-16.3,;31.35,-14.97,;33.66,-16.31,;34.42,-17.65,;35.96,-17.66,;33.65,-18.98,;32.03,-25.02,;32.01,-26.56,;33.33,-27.35,;34.68,-26.59,;34.7,-25.06,;33.37,-24.27,;36,-27.39,;35.98,-28.92,;37.34,-26.63,;38.67,-27.42,;40.01,-26.66,;41.4,-27.3,;42.45,-26.17,;41.69,-24.82,;40.18,-25.13,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-5-6-7-8-27(21-9-11-22(12-10-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-25(34)19-26(35)18-23)37-33(42)15-13-24(14-16-33)32(2,3)4/h9-12,17-19,24,27H,5-8,13-16,20H2,1-4H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/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