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BDBM50007245 CHEMBL3238234

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

InChI Key: InChIKey=HJKJOOGZBWPJHY-RQDKSTKUSA-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 = 50007245   
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))
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 16n/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))
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 2.00E+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
Glucagon receptor


(Homo sapiens (Human))
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 48n/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)
BDBM50007245
PNG
(CHEMBL3238234)
Show SMILES CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O |r,wU:6.5,15.19,wD:12.13,c:10,(3.27,-43.71,;3.25,-42.17,;1.91,-41.41,;1.91,-42.92,;4.58,-41.38,;4.56,-39.84,;5.88,-39.06,;5.83,-37.52,;7.04,-36.57,;8.52,-36.98,;6.51,-35.12,;4.96,-35.18,;4.55,-36.66,;3.36,-35.67,;1.91,-36.21,;1.65,-37.72,;2.84,-38.71,;4.28,-38.18,;.31,-38.48,;-1.02,-37.71,;.3,-40.02,;-1.03,-39.24,;7.28,-33.79,;6.52,-32.46,;7.3,-31.13,;6.53,-29.79,;8.84,-31.13,;9.6,-32.47,;11.14,-32.48,;8.83,-33.8,;7.21,-39.84,;7.18,-41.39,;8.51,-42.17,;9.86,-41.42,;9.88,-39.88,;8.55,-39.1,;11.18,-42.21,;11.16,-43.75,;12.52,-41.46,;13.84,-42.24,;13.83,-43.78,;15.15,-44.57,;15.14,-46.1,;16.5,-43.81,)|
Show InChI InChI=1S/C35H45Cl2N3O4/c1-33(2,3)15-13-28(22-7-9-23(10-8-22)31(43)38-18-14-29(41)42)40-32(44)30(24-19-26(36)21-27(37)20-24)39-35(40)16-11-25(12-17-35)34(4,5)6/h7-10,19-21,25,28H,11-18H2,1-6H3,(H,38,43)(H,41,42)/t25-,28-,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 520n/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