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BDBM50260245 1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-bis(3-methoxy-4-(thiophene-2-carbonyloxy)phenyl)cyclobutane-1,3-dicarboxylic acid::CHEMBL510593

SMILES: COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=NEGLAHVNMIDVPL-UHFFFAOYSA-N

Data: 1 KI  1 IC50  2 EC50

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 = 50260245   
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-like peptide 1 receptor


(Rattus norvegicus)		BDBM50260245
PNG
(1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O |(19.44,-26.93,;20.21,-28.27,;21.75,-28.28,;22.52,-26.96,;24.06,-26.97,;24.82,-28.29,;24.05,-29.61,;22.51,-29.61,;21.73,-30.95,;20.19,-30.94,;19.42,-29.6,;19.42,-32.27,;17.89,-32.43,;17.57,-33.94,;18.9,-34.71,;20.05,-33.68,;24.06,-25.41,;25.6,-25.41,;25.61,-26.96,;26.95,-27.73,;28.49,-27.71,;26.94,-29.26,;25.61,-30.03,;25.6,-31.57,;26.92,-32.34,;26.92,-33.88,;25.59,-34.65,;24.26,-33.87,;25.58,-36.19,;24.34,-37.09,;24.8,-38.56,;26.34,-38.56,;26.82,-37.1,;28.27,-31.57,;28.27,-30.04,;25.6,-23.87,;25.59,-22.31,;24.82,-21,;25.59,-19.67,;27.13,-19.66,;27.89,-18.33,;29.43,-18.32,;30.21,-19.66,;30.2,-16.99,;31.73,-16.82,;32.05,-15.32,;30.71,-14.54,;29.56,-15.58,;27.89,-20.99,;29.43,-20.99,;30.21,-22.32,;27.13,-22.32,;24.06,-23.86,;24.04,-22.32,;22.69,-21.56,;21.15,-21.58,;22.69,-20.03,;24.01,-19.25,;24.01,-17.71,;22.68,-16.95,;22.68,-15.41,;24,-14.63,;25.34,-15.4,;24,-13.09,;25.24,-12.18,;24.76,-10.71,;23.22,-10.72,;22.75,-12.19,;21.34,-17.72,;21.35,-19.26,;22.52,-23.86,;21.75,-22.53,;21.74,-25.19,;27.15,-25.43,;27.9,-26.77,;27.93,-24.1,)|
Show InChI InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
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 287n/an/an/an/an/an/an/an/a



National Center for Drug Screening

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP1 from rat GLP1 receptor expressed in HEK293 cells

Proc Natl Acad Sci U S A 104: 943-8 (2007)


Article DOI: 10.1073/pnas.0610173104
BindingDB Entry DOI: 10.7270/Q2TM79VV
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)		BDBM50260245
PNG
(1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O |(19.44,-26.93,;20.21,-28.27,;21.75,-28.28,;22.52,-26.96,;24.06,-26.97,;24.82,-28.29,;24.05,-29.61,;22.51,-29.61,;21.73,-30.95,;20.19,-30.94,;19.42,-29.6,;19.42,-32.27,;17.89,-32.43,;17.57,-33.94,;18.9,-34.71,;20.05,-33.68,;24.06,-25.41,;25.6,-25.41,;25.61,-26.96,;26.95,-27.73,;28.49,-27.71,;26.94,-29.26,;25.61,-30.03,;25.6,-31.57,;26.92,-32.34,;26.92,-33.88,;25.59,-34.65,;24.26,-33.87,;25.58,-36.19,;24.34,-37.09,;24.8,-38.56,;26.34,-38.56,;26.82,-37.1,;28.27,-31.57,;28.27,-30.04,;25.6,-23.87,;25.59,-22.31,;24.82,-21,;25.59,-19.67,;27.13,-19.66,;27.89,-18.33,;29.43,-18.32,;30.21,-19.66,;30.2,-16.99,;31.73,-16.82,;32.05,-15.32,;30.71,-14.54,;29.56,-15.58,;27.89,-20.99,;29.43,-20.99,;30.21,-22.32,;27.13,-22.32,;24.06,-23.86,;24.04,-22.32,;22.69,-21.56,;21.15,-21.58,;22.69,-20.03,;24.01,-19.25,;24.01,-17.71,;22.68,-16.95,;22.68,-15.41,;24,-14.63,;25.34,-15.4,;24,-13.09,;25.24,-12.18,;24.76,-10.71,;23.22,-10.72,;22.75,-12.19,;21.34,-17.72,;21.35,-19.26,;22.52,-23.86,;21.75,-22.53,;21.74,-25.19,;27.15,-25.43,;27.9,-26.77,;27.93,-24.1,)|
Show InChI InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
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n/an/an/an/a 1.08E+3n/an/an/an/a



National Center for Drug Screening

Curated by ChEMBL


Assay Description
Agonist activity at rat GLP1 receptor expressed in HEK293 cells assessed as cAMP release

Proc Natl Acad Sci U S A 104: 943-8 (2007)


Article DOI: 10.1073/pnas.0610173104
BindingDB Entry DOI: 10.7270/Q2TM79VV
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)		BDBM50260245
PNG
(1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O |(19.44,-26.93,;20.21,-28.27,;21.75,-28.28,;22.52,-26.96,;24.06,-26.97,;24.82,-28.29,;24.05,-29.61,;22.51,-29.61,;21.73,-30.95,;20.19,-30.94,;19.42,-29.6,;19.42,-32.27,;17.89,-32.43,;17.57,-33.94,;18.9,-34.71,;20.05,-33.68,;24.06,-25.41,;25.6,-25.41,;25.61,-26.96,;26.95,-27.73,;28.49,-27.71,;26.94,-29.26,;25.61,-30.03,;25.6,-31.57,;26.92,-32.34,;26.92,-33.88,;25.59,-34.65,;24.26,-33.87,;25.58,-36.19,;24.34,-37.09,;24.8,-38.56,;26.34,-38.56,;26.82,-37.1,;28.27,-31.57,;28.27,-30.04,;25.6,-23.87,;25.59,-22.31,;24.82,-21,;25.59,-19.67,;27.13,-19.66,;27.89,-18.33,;29.43,-18.32,;30.21,-19.66,;30.2,-16.99,;31.73,-16.82,;32.05,-15.32,;30.71,-14.54,;29.56,-15.58,;27.89,-20.99,;29.43,-20.99,;30.21,-22.32,;27.13,-22.32,;24.06,-23.86,;24.04,-22.32,;22.69,-21.56,;21.15,-21.58,;22.69,-20.03,;24.01,-19.25,;24.01,-17.71,;22.68,-16.95,;22.68,-15.41,;24,-14.63,;25.34,-15.4,;24,-13.09,;25.24,-12.18,;24.76,-10.71,;23.22,-10.72,;22.75,-12.19,;21.34,-17.72,;21.35,-19.26,;22.52,-23.86,;21.75,-22.53,;21.74,-25.19,;27.15,-25.43,;27.9,-26.77,;27.93,-24.1,)|
Show InChI InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
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n/an/an/an/a 657n/an/an/an/a



The National Center for Drug Screening

Curated by ChEMBL


Assay Description
Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP ...

J Med Chem 55: 250-67 (2012)


Article DOI: 10.1021/jm201150j
BindingDB Entry DOI: 10.7270/Q2M046JC
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)		BDBM50260245
PNG
(1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O |(19.44,-26.93,;20.21,-28.27,;21.75,-28.28,;22.52,-26.96,;24.06,-26.97,;24.82,-28.29,;24.05,-29.61,;22.51,-29.61,;21.73,-30.95,;20.19,-30.94,;19.42,-29.6,;19.42,-32.27,;17.89,-32.43,;17.57,-33.94,;18.9,-34.71,;20.05,-33.68,;24.06,-25.41,;25.6,-25.41,;25.61,-26.96,;26.95,-27.73,;28.49,-27.71,;26.94,-29.26,;25.61,-30.03,;25.6,-31.57,;26.92,-32.34,;26.92,-33.88,;25.59,-34.65,;24.26,-33.87,;25.58,-36.19,;24.34,-37.09,;24.8,-38.56,;26.34,-38.56,;26.82,-37.1,;28.27,-31.57,;28.27,-30.04,;25.6,-23.87,;25.59,-22.31,;24.82,-21,;25.59,-19.67,;27.13,-19.66,;27.89,-18.33,;29.43,-18.32,;30.21,-19.66,;30.2,-16.99,;31.73,-16.82,;32.05,-15.32,;30.71,-14.54,;29.56,-15.58,;27.89,-20.99,;29.43,-20.99,;30.21,-22.32,;27.13,-22.32,;24.06,-23.86,;24.04,-22.32,;22.69,-21.56,;21.15,-21.58,;22.69,-20.03,;24.01,-19.25,;24.01,-17.71,;22.68,-16.95,;22.68,-15.41,;24,-14.63,;25.34,-15.4,;24,-13.09,;25.24,-12.18,;24.76,-10.71,;23.22,-10.72,;22.75,-12.19,;21.34,-17.72,;21.35,-19.26,;22.52,-23.86,;21.75,-22.53,;21.74,-25.19,;27.15,-25.43,;27.9,-26.77,;27.93,-24.1,)|
Show InChI InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
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n/an/a 300n/an/an/an/an/an/a



The National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 cells

J Med Chem 55: 250-67 (2012)


Article DOI: 10.1021/jm201150j
BindingDB Entry DOI: 10.7270/Q2M046JC
More data for this
Ligand-Target Pair