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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'adler' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50144020
PNG
(3-{4-[1-(4-Benzofuran-2-yl-phenylcarbamoyl)-heptyl...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C32H34N2O6/c1-2-3-4-5-10-28(39-26-17-13-23(14-18-26)31(37)33-20-19-30(35)36)32(38)34-25-15-11-22(12-16-25)29-21-24-8-6-7-9-27(24)40-29/h6-9,11-18,21,28H,2-5,10,19-20H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144015
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-octyl]...)
Show SMILES CCCCCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C33H36N2O5/c1-2-3-4-5-9-27(21-23-11-13-25(14-12-23)32(38)34-20-19-31(36)37)33(39)35-28-17-15-24(16-18-28)30-22-26-8-6-7-10-29(26)40-30/h6-8,10-18,22,27H,2-5,9,19-21H2,1H3,(H,34,38)(H,35,39)(H,36,37)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144001
PNG
(3-{4-[1-(2',4'-Dichloro-biphenyl-4-ylcarbamoyl)-he...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144002
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(2',4'-dichloro-bi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C35H34Cl2N2O4/c1-35(2,3)26-12-8-24(9-13-26)30(20-22-4-6-25(7-5-22)33(42)38-19-18-32(40)41)34(43)39-28-15-10-23(11-16-28)29-17-14-27(36)21-31(29)37/h4-17,21,30H,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144016
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O5/c1-34(2,3)27-15-9-25(10-16-27)31(41-29-19-13-26(14-20-29)32(39)35-22-21-30(37)38)33(40)36-28-17-11-24(12-18-28)23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144006
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(quinolin-3-ylcarb...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C32H33N3O4/c1-32(2,3)25-14-12-22(13-15-25)27(31(39)35-26-19-24-6-4-5-7-28(24)34-20-26)18-21-8-10-23(11-9-21)30(38)33-17-16-29(36)37/h4-15,19-20,27H,16-18H2,1-3H3,(H,33,38)(H,35,39)(H,36,37)
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144004
PNG
(3-{4-[2-(Biphenyl-4-ylcarbamoyl)-2-(4-tert-butyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O4/c1-35(2,3)29-17-13-27(14-18-29)31(23-24-9-11-28(12-10-24)33(40)36-22-21-32(38)39)34(41)37-30-19-15-26(16-20-30)25-7-5-4-6-8-25/h4-20,31H,21-23H2,1-3H3,(H,36,40)(H,37,41)(H,38,39)
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144001
PNG
(3-{4-[1-(2',4'-Dichloro-biphenyl-4-ylcarbamoyl)-he...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144020
PNG
(3-{4-[1-(4-Benzofuran-2-yl-phenylcarbamoyl)-heptyl...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C32H34N2O6/c1-2-3-4-5-10-28(39-26-17-13-23(14-18-26)31(37)33-20-19-30(35)36)32(38)34-25-15-11-22(12-16-25)29-21-24-8-6-7-9-27(24)40-29/h6-9,11-18,21,28H,2-5,10,19-20H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144015
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-octyl]...)
Show SMILES CCCCCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C33H36N2O5/c1-2-3-4-5-9-27(21-23-11-13-25(14-12-23)32(38)34-20-19-31(36)37)33(39)35-28-17-15-24(16-18-28)30-22-26-8-6-7-10-29(26)40-30/h6-8,10-18,22,27H,2-5,9,19-21H2,1H3,(H,34,38)(H,35,39)(H,36,37)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144011
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-ethyl-phenylcar...)
Show SMILES CCc1ccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-8-16-26(17-9-21)33-30(37)27(23-12-14-25(15-13-23)31(2,3)4)20-22-6-10-24(11-7-22)29(36)32-19-18-28(34)35/h6-17,27H,5,18-20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144019
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(F)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H33FN2O5/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)37-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)36-21-29(35)33(40)41/h4-20,29-30H,21H2,1-3H3,(H,36,38)(H,37,39)(H,40,41)
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144005
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-hydroxymethyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C30H34N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(29(37)32-25-14-6-21(19-33)7-15-25)18-20-4-8-23(9-5-20)28(36)31-17-16-27(34)35/h4-15,26,33H,16-19H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144002
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(2',4'-dichloro-bi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C35H34Cl2N2O4/c1-35(2,3)26-12-8-24(9-13-26)30(20-22-4-6-25(7-5-22)33(42)38-19-18-32(40)41)34(43)39-28-15-10-23(11-16-28)29-17-14-27(36)21-31(29)37/h4-17,21,30H,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144003
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H31F3N2O5/c1-29(2,3)22-10-8-20(9-11-22)25(28(39)35-23-12-14-24(15-13-23)40-30(31,32)33)18-19-4-6-21(7-5-19)27(38)34-17-16-26(36)37/h4-15,25H,16-18H2,1-3H3,(H,34,38)(H,35,39)(H,36,37)
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144009
PNG
(3-{4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorome...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |wU:4.3,wD:7.10,(10.18,2.9,;9.39,1.56,;8.05,2.34,;8.62,.21,;10.74,.78,;12.08,1.53,;13.41,.77,;13.41,-.77,;12.07,-1.54,;10.74,-.77,;14.74,-1.54,;14.74,-3.07,;13.39,-3.86,;12.07,-3.1,;10.74,-3.86,;10.74,-5.4,;12.07,-6.17,;13.41,-5.4,;9.41,-6.19,;9.43,-7.72,;8.06,-5.42,;6.74,-6.2,;5.4,-5.44,;4.07,-6.23,;2.73,-5.47,;4.07,-7.77,;16.06,-.77,;16.06,.77,;17.39,-1.54,;18.71,-.77,;20.04,-1.53,;21.38,-.77,;21.36,.78,;22.71,1.56,;22.7,3.09,;21.17,3.11,;24.23,3.11,;22.71,4.62,;20.04,1.55,;18.71,.77,)|
Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t21-,23-
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63n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144012
PNG
(4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-phenyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H30N6O3/c1-32(2,3)25-15-9-23(10-16-25)28(30(40)33-26-17-11-22(12-18-26)21-7-5-4-6-8-21)41-27-19-13-24(14-20-27)29(39)34-31-35-37-38-36-31/h4-20,28H,1-3H3,(H,33,40)(H2,34,35,36,37,38,39)
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66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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69n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced monkey adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144018
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-pyrazol-1-yl-ph...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C32H34N4O4/c1-32(2,3)25-11-9-23(10-12-25)28(21-22-5-7-24(8-6-22)30(39)33-19-17-29(37)38)31(40)35-26-13-15-27(16-14-26)36-20-4-18-34-36/h4-16,18,20,28H,17,19,21H2,1-3H3,(H,33,39)(H,35,40)(H,37,38)
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70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144000
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-piperidin-1-yl-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H41N3O4/c1-34(2,3)27-13-11-25(12-14-27)30(23-24-7-9-26(10-8-24)32(40)35-20-19-31(38)39)33(41)36-28-15-17-29(18-16-28)37-21-5-4-6-22-37/h7-18,30H,4-6,19-23H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)
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73n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144007
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(3-ethyl-phenylcar...)
Show SMILES CCc1cccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-7-6-8-26(19-21)33-30(37)27(23-13-15-25(16-14-23)31(2,3)4)20-22-9-11-24(12-10-22)29(36)32-18-17-28(34)35/h6-16,19,27H,5,17-18,20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144003
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H31F3N2O5/c1-29(2,3)22-10-8-20(9-11-22)25(28(39)35-23-12-14-24(15-13-23)40-30(31,32)33)18-19-4-6-21(7-5-19)27(38)34-17-16-26(36)37/h4-15,25H,16-18H2,1-3H3,(H,34,38)(H,35,39)(H,36,37)
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144010
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(O)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O6/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)36-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)35-21-29(37)33(40)41/h4-20,29-30,37H,21H2,1-3H3,(H,35,38)(H,36,39)(H,40,41)
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112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144016
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O5/c1-34(2,3)27-15-9-25(10-16-27)31(41-29-19-13-26(14-20-29)32(39)35-22-21-30(37)38)33(40)36-28-17-11-24(12-18-28)23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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144n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144009
PNG
(3-{4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorome...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |wU:4.3,wD:7.10,(10.18,2.9,;9.39,1.56,;8.05,2.34,;8.62,.21,;10.74,.78,;12.08,1.53,;13.41,.77,;13.41,-.77,;12.07,-1.54,;10.74,-.77,;14.74,-1.54,;14.74,-3.07,;13.39,-3.86,;12.07,-3.1,;10.74,-3.86,;10.74,-5.4,;12.07,-6.17,;13.41,-5.4,;9.41,-6.19,;9.43,-7.72,;8.06,-5.42,;6.74,-6.2,;5.4,-5.44,;4.07,-6.23,;2.73,-5.47,;4.07,-7.77,;16.06,-.77,;16.06,.77,;17.39,-1.54,;18.71,-.77,;20.04,-1.53,;21.38,-.77,;21.36,.78,;22.71,1.56,;22.7,3.09,;21.17,3.11,;24.23,3.11,;22.71,4.62,;20.04,1.55,;18.71,.77,)|
Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t21-,23-
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254n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144004
PNG
(3-{4-[2-(Biphenyl-4-ylcarbamoyl)-2-(4-tert-butyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O4/c1-35(2,3)29-17-13-27(14-18-29)31(23-24-9-11-28(12-10-24)33(40)36-22-21-32(38)39)34(41)37-30-19-15-26(16-20-30)25-7-5-4-6-8-25/h4-20,31H,21-23H2,1-3H3,(H,36,40)(H,37,41)(H,38,39)
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300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144012
PNG
(4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-phenyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H30N6O3/c1-32(2,3)25-15-9-23(10-16-25)28(30(40)33-26-17-11-22(12-18-26)21-7-5-4-6-8-21)41-27-19-13-24(14-20-27)29(39)34-31-35-37-38-36-31/h4-20,28H,1-3H3,(H,33,40)(H2,34,35,36,37,38,39)
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317n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144017
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-oxo-3-(4-p-tolyl-p...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C34H41N3O4/c1-24-5-15-29(16-6-24)36-19-21-37(22-20-36)33(41)30(26-11-13-28(14-12-26)34(2,3)4)23-25-7-9-27(10-8-25)32(40)35-18-17-31(38)39/h5-16,30H,17-23H2,1-4H3,(H,35,40)(H,38,39)
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400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144006
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(quinolin-3-ylcarb...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C32H33N3O4/c1-32(2,3)25-14-12-22(13-15-25)27(31(39)35-26-19-24-6-4-5-7-28(24)34-20-26)18-21-8-10-23(11-9-21)30(38)33-17-16-29(36)37/h4-15,19-20,27H,16-18H2,1-3H3,(H,33,38)(H,35,39)(H,36,37)
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610n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144005
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-hydroxymethyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C30H34N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(29(37)32-25-14-6-21(19-33)7-15-25)18-20-4-8-23(9-5-20)28(36)31-17-16-27(34)35/h4-15,26,33H,16-19H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144013
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(COC(F)(F)F)cc1
Show InChI InChI=1S/C31H33F3N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(18-20-4-8-23(9-5-20)28(39)35-17-16-27(37)38)29(40)36-25-14-6-21(7-15-25)19-41-31(32,33)34/h4-15,26H,16-19H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144011
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-ethyl-phenylcar...)
Show SMILES CCc1ccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-8-16-26(17-9-21)33-30(37)27(23-12-14-25(15-13-23)31(2,3)4)20-22-6-10-24(11-7-22)29(36)32-19-18-28(34)35/h6-17,27H,5,18-20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144010
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(O)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O6/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)36-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)35-21-29(37)33(40)41/h4-20,29-30,37H,21H2,1-3H3,(H,35,38)(H,36,39)(H,40,41)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144014
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-(4-ethyl-piperazin...)
Show SMILES CCN1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H39N3O4/c1-5-31-16-18-32(19-17-31)28(36)25(22-10-12-24(13-11-22)29(2,3)4)20-21-6-8-23(9-7-21)27(35)30-15-14-26(33)34/h6-13,25H,5,14-20H2,1-4H3,(H,30,35)(H,33,34)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144018
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-pyrazol-1-yl-ph...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C32H34N4O4/c1-32(2,3)25-11-9-23(10-12-25)28(21-22-5-7-24(8-6-22)30(39)33-19-17-29(37)38)31(40)35-26-13-15-27(16-14-26)36-20-4-18-34-36/h4-16,18,20,28H,17,19,21H2,1-3H3,(H,33,39)(H,35,40)(H,37,38)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144000
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-piperidin-1-yl-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H41N3O4/c1-34(2,3)27-13-11-25(12-14-27)30(23-24-7-9-26(10-8-24)32(40)35-20-19-31(38)39)33(41)36-28-15-17-29(18-16-28)37-21-5-4-6-22-37/h7-18,30H,4-6,19-23H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144019
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(F)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H33FN2O5/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)37-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)36-21-29(35)33(40)41/h4-20,29-30H,21H2,1-3H3,(H,36,38)(H,37,39)(H,40,41)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144007
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(3-ethyl-phenylcar...)
Show SMILES CCc1cccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-7-6-8-26(19-21)33-30(37)27(23-13-15-25(16-14-23)31(2,3)4)20-22-9-11-24(12-10-22)29(36)32-18-17-28(34)35/h6-16,19,27H,5,17-18,20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50144017
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-oxo-3-(4-p-tolyl-p...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C34H41N3O4/c1-24-5-15-29(16-6-24)36-19-21-37(22-20-36)33(41)30(26-11-13-28(14-12-26)34(2,3)4)23-25-7-9-27(10-8-25)32(40)35-18-17-31(38)39/h5-16,30H,17-23H2,1-4H3,(H,35,40)(H,38,39)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144014
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-(4-ethyl-piperazin...)
Show SMILES CCN1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H39N3O4/c1-5-31-16-18-32(19-17-31)28(36)25(22-10-12-24(13-11-22)29(2,3)4)20-21-6-8-23(9-7-21)27(35)30-15-14-26(33)34/h6-13,25H,5,14-20H2,1-4H3,(H,30,35)(H,33,34)
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50144013
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(COC(F)(F)F)cc1
Show InChI InChI=1S/C31H33F3N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(18-20-4-8-23(9-5-20)28(39)35-17-16-27(37)38)29(40)36-25-14-6-21(7-15-25)19-41-31(32,33)34/h4-15,26H,16-19H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human glucagon receptor (h-GlucR) was determined


Bioorg Med Chem Lett 14: 2047-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.056
BindingDB Entry DOI: 10.7270/Q2XS5TTH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50080589
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33FN2O6/c1-4-18-12-22(32)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)40-17-39-25)28(31(36)37)30(34)20-6-9-23(38-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)/t24-,28-,30+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50080593
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
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