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BDBM50007389 CHEMBL3237900

SMILES: C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O

InChI Key: InChIKey=GTJXZSWECBRXED-YQWIOWDRSA-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 = 50007389   
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


(Mus musculus)
BDBM50007389
PNG
(CHEMBL3237900)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(20.39,-28.33,;21.71,-27.55,;21.66,-26.01,;22.87,-25.06,;24.35,-25.48,;22.34,-23.62,;20.79,-23.68,;20.38,-25.15,;19.19,-24.17,;17.74,-24.7,;17.48,-26.22,;18.67,-27.2,;20.12,-26.67,;16.04,-26.75,;14.86,-25.76,;14.6,-27.28,;15.78,-28.27,;23.11,-22.29,;24.66,-22.3,;25.43,-20.97,;26.97,-20.98,;24.67,-19.63,;23.13,-19.62,;22.36,-18.28,;22.35,-20.95,;23.04,-28.33,;23.01,-29.88,;24.34,-30.66,;25.69,-29.91,;25.71,-28.37,;24.38,-27.59,;27.01,-30.7,;26.99,-32.24,;28.35,-29.95,;29.67,-30.73,;31.02,-29.98,;32.34,-30.76,;33.68,-30,;32.32,-32.3,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-14-11-25(36)37)35-28(39)26(21-15-23(31)17-24(32)16-21)34-30(35)12-9-22(10-13-30)29(2,3)4/h5-8,15-18,22H,9-14H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 810n/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
Glucagon receptor


(Homo sapiens (Human))
BDBM50007389
PNG
(CHEMBL3237900)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(20.39,-28.33,;21.71,-27.55,;21.66,-26.01,;22.87,-25.06,;24.35,-25.48,;22.34,-23.62,;20.79,-23.68,;20.38,-25.15,;19.19,-24.17,;17.74,-24.7,;17.48,-26.22,;18.67,-27.2,;20.12,-26.67,;16.04,-26.75,;14.86,-25.76,;14.6,-27.28,;15.78,-28.27,;23.11,-22.29,;24.66,-22.3,;25.43,-20.97,;26.97,-20.98,;24.67,-19.63,;23.13,-19.62,;22.36,-18.28,;22.35,-20.95,;23.04,-28.33,;23.01,-29.88,;24.34,-30.66,;25.69,-29.91,;25.71,-28.37,;24.38,-27.59,;27.01,-30.7,;26.99,-32.24,;28.35,-29.95,;29.67,-30.73,;31.02,-29.98,;32.34,-30.76,;33.68,-30,;32.32,-32.3,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-14-11-25(36)37)35-28(39)26(21-15-23(31)17-24(32)16-21)34-30(35)12-9-22(10-13-30)29(2,3)4/h5-8,15-18,22H,9-14H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB
MMDB

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antibodypedia
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n/an/a 110n/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


(Homo sapiens (Human))
BDBM50007389
PNG
(CHEMBL3237900)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(20.39,-28.33,;21.71,-27.55,;21.66,-26.01,;22.87,-25.06,;24.35,-25.48,;22.34,-23.62,;20.79,-23.68,;20.38,-25.15,;19.19,-24.17,;17.74,-24.7,;17.48,-26.22,;18.67,-27.2,;20.12,-26.67,;16.04,-26.75,;14.86,-25.76,;14.6,-27.28,;15.78,-28.27,;23.11,-22.29,;24.66,-22.3,;25.43,-20.97,;26.97,-20.98,;24.67,-19.63,;23.13,-19.62,;22.36,-18.28,;22.35,-20.95,;23.04,-28.33,;23.01,-29.88,;24.34,-30.66,;25.69,-29.91,;25.71,-28.37,;24.38,-27.59,;27.01,-30.7,;26.99,-32.24,;28.35,-29.95,;29.67,-30.73,;31.02,-29.98,;32.34,-30.76,;33.68,-30,;32.32,-32.3,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-14-11-25(36)37)35-28(39)26(21-15-23(31)17-24(32)16-21)34-30(35)12-9-22(10-13-30)29(2,3)4/h5-8,15-18,22H,9-14H2,1-4H3,(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 6n/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))
BDBM50007389
PNG
(CHEMBL3237900)
Show SMILES C[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(F)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:10.14,1.0,wD:7.8,c:5,(20.39,-28.33,;21.71,-27.55,;21.66,-26.01,;22.87,-25.06,;24.35,-25.48,;22.34,-23.62,;20.79,-23.68,;20.38,-25.15,;19.19,-24.17,;17.74,-24.7,;17.48,-26.22,;18.67,-27.2,;20.12,-26.67,;16.04,-26.75,;14.86,-25.76,;14.6,-27.28,;15.78,-28.27,;23.11,-22.29,;24.66,-22.3,;25.43,-20.97,;26.97,-20.98,;24.67,-19.63,;23.13,-19.62,;22.36,-18.28,;22.35,-20.95,;23.04,-28.33,;23.01,-29.88,;24.34,-30.66,;25.69,-29.91,;25.71,-28.37,;24.38,-27.59,;27.01,-30.7,;26.99,-32.24,;28.35,-29.95,;29.67,-30.73,;31.02,-29.98,;32.34,-30.76,;33.68,-30,;32.32,-32.3,)|
Show InChI InChI=1S/C30H35ClFN3O4/c1-18(19-5-7-20(8-6-19)27(38)33-14-11-25(36)37)35-28(39)26(21-15-23(31)17-24(32)16-21)34-30(35)12-9-22(10-13-30)29(2,3)4/h5-8,15-18,22H,9-14H2,1-4H3,(H,33,38)(H,36,37)/t18-,22-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/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