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BDBM50393788 CHEMBL2159347

SMILES: COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl

InChI Key: InChIKey=PMQFLFLLOQPBCP-IBGZPJMESA-N

Data: 6 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 6 hits for monomerid = 50393788   
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))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIPR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 12n/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-induced cAMP accumulation preincubated for 30 mins prior ...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human VPAC2 expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50393788
PNG
(CHEMBL2159347)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-14-13-31(38)39)37-30(18-29(36-37)27-17-25(33)10-12-28(27)34)24-8-7-23-16-26(41-2)11-9-22(23)15-24/h3-12,15-19H,13-14H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP1R expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior...


J Med Chem 55: 6137-48 (2012)


Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C
More data for this
Ligand-Target Pair