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BDBM50007218 CHEMBL3237928

SMILES: CC(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)NCc1nn[nH]n1

InChI Key: InChIKey=IAQIMCJCSHASIS-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 = 50007218   
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))
BDBM50007218
PNG
(CHEMBL3237928)
Show SMILES CC(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)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(30.64,-43.26,;30.62,-41.72,;29.28,-40.97,;31.95,-40.94,;31.93,-39.4,;33.25,-38.61,;33.2,-37.07,;34.41,-36.12,;35.89,-36.54,;33.88,-34.68,;32.34,-34.74,;31.92,-36.21,;30.73,-35.23,;29.29,-35.76,;29.02,-37.28,;30.21,-38.26,;31.66,-37.73,;27.59,-37.81,;26.4,-36.82,;26.14,-38.34,;27.32,-39.33,;34.66,-33.35,;33.89,-32.01,;34.67,-30.68,;33.9,-29.34,;36.21,-30.69,;36.97,-32.03,;38.51,-32.04,;36.2,-33.36,;34.58,-39.39,;34.56,-40.94,;35.88,-41.72,;37.23,-40.97,;37.25,-39.43,;35.92,-38.65,;38.55,-41.76,;38.53,-43.3,;39.89,-41.01,;41.22,-41.79,;42.56,-41.04,;43.95,-41.68,;45,-40.54,;44.24,-39.2,;42.73,-39.51,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(43)36-19-28-38-40-41-39-28)42-31(44)29(23-16-25(34)18-26(35)17-23)37-33(42)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 22n/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))
BDBM50007218
PNG
(CHEMBL3237928)
Show SMILES CC(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)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(30.64,-43.26,;30.62,-41.72,;29.28,-40.97,;31.95,-40.94,;31.93,-39.4,;33.25,-38.61,;33.2,-37.07,;34.41,-36.12,;35.89,-36.54,;33.88,-34.68,;32.34,-34.74,;31.92,-36.21,;30.73,-35.23,;29.29,-35.76,;29.02,-37.28,;30.21,-38.26,;31.66,-37.73,;27.59,-37.81,;26.4,-36.82,;26.14,-38.34,;27.32,-39.33,;34.66,-33.35,;33.89,-32.01,;34.67,-30.68,;33.9,-29.34,;36.21,-30.69,;36.97,-32.03,;38.51,-32.04,;36.2,-33.36,;34.58,-39.39,;34.56,-40.94,;35.88,-41.72,;37.23,-40.97,;37.25,-39.43,;35.92,-38.65,;38.55,-41.76,;38.53,-43.3,;39.89,-41.01,;41.22,-41.79,;42.56,-41.04,;43.95,-41.68,;45,-40.54,;44.24,-39.2,;42.73,-39.51,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(43)36-19-28-38-40-41-39-28)42-31(44)29(23-16-25(34)18-26(35)17-23)37-33(42)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19H2,1-5H3,(H,36,43)(H,38,39,40,41)/t24-,27-,33-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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))
BDBM50007218
PNG
(CHEMBL3237928)
Show SMILES CC(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)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(30.64,-43.26,;30.62,-41.72,;29.28,-40.97,;31.95,-40.94,;31.93,-39.4,;33.25,-38.61,;33.2,-37.07,;34.41,-36.12,;35.89,-36.54,;33.88,-34.68,;32.34,-34.74,;31.92,-36.21,;30.73,-35.23,;29.29,-35.76,;29.02,-37.28,;30.21,-38.26,;31.66,-37.73,;27.59,-37.81,;26.4,-36.82,;26.14,-38.34,;27.32,-39.33,;34.66,-33.35,;33.89,-32.01,;34.67,-30.68,;33.9,-29.34,;36.21,-30.69,;36.97,-32.03,;38.51,-32.04,;36.2,-33.36,;34.58,-39.39,;34.56,-40.94,;35.88,-41.72,;37.23,-40.97,;37.25,-39.43,;35.92,-38.65,;38.55,-41.76,;38.53,-43.3,;39.89,-41.01,;41.22,-41.79,;42.56,-41.04,;43.95,-41.68,;45,-40.54,;44.24,-39.2,;42.73,-39.51,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(43)36-19-28-38-40-41-39-28)42-31(44)29(23-16-25(34)18-26(35)17-23)37-33(42)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19H2,1-5H3,(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

Patents


Similars

Article
PubMed
n/an/a 150n/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)
BDBM50007218
PNG
(CHEMBL3237928)
Show SMILES CC(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)NCc1nn[nH]n1 |r,wU:14.18,5.4,wD:11.12,c:9,(30.64,-43.26,;30.62,-41.72,;29.28,-40.97,;31.95,-40.94,;31.93,-39.4,;33.25,-38.61,;33.2,-37.07,;34.41,-36.12,;35.89,-36.54,;33.88,-34.68,;32.34,-34.74,;31.92,-36.21,;30.73,-35.23,;29.29,-35.76,;29.02,-37.28,;30.21,-38.26,;31.66,-37.73,;27.59,-37.81,;26.4,-36.82,;26.14,-38.34,;27.32,-39.33,;34.66,-33.35,;33.89,-32.01,;34.67,-30.68,;33.9,-29.34,;36.21,-30.69,;36.97,-32.03,;38.51,-32.04,;36.2,-33.36,;34.58,-39.39,;34.56,-40.94,;35.88,-41.72,;37.23,-40.97,;37.25,-39.43,;35.92,-38.65,;38.55,-41.76,;38.53,-43.3,;39.89,-41.01,;41.22,-41.79,;42.56,-41.04,;43.95,-41.68,;45,-40.54,;44.24,-39.2,;42.73,-39.51,)|
Show InChI InChI=1S/C33H41Cl2N7O2/c1-20(2)6-11-27(21-7-9-22(10-8-21)30(43)36-19-28-38-40-41-39-28)42-31(44)29(23-16-25(34)18-26(35)17-23)37-33(42)14-12-24(13-15-33)32(3,4)5/h7-10,16-18,20,24,27H,6,11-15,19H2,1-5H3,(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

Patents


Similars

Article
PubMed
n/an/a 280n/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