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Compile Data Set for Download or QSAR

Found 2639 hits with Last Name = 'anthony' and Initial = 'j'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347380
PNG
(CHEMBL1801350)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Br)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347351
PNG
(CHEMBL1801352)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)15-11-27-13-28-12-15)17-7-6-16(10-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347379
PNG
(CHEMBL1801349)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20Cl2FN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243173
PNG
(CHEMBL487445 | N-(2-Benzoyl-phenyl)-4-[3-(3-piperi...)
Show SMILES O=C(NCCCN1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C28H32N4O4S/c33-27(22-10-3-1-4-11-22)25-12-5-6-13-26(25)31-37(35,36)24-16-14-23(15-17-24)30-28(34)29-18-9-21-32-19-7-2-8-20-32/h1,3-6,10-17,31H,2,7-9,18-21H2,(H2,29,30,34)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347370
PNG
(CHEMBL1801087)
Show SMILES COc1ncc(s1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O3S/c1-13(28-22(33)24(9-10-24)29-21(32)19-12-27-23(34-2)35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)20(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347376
PNG
(CHEMBL1801346)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(O)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClFN5O3/c1-14(29-24(35)25(8-9-25)30-23(34)15-10-17(33)13-28-12-15)18-7-6-16(11-20(18)27)32-21-5-3-2-4-19(21)22(26)31-32/h2-7,10-14,33H,8-9H2,1H3,(H,29,35)(H,30,34)/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347378
PNG
(CHEMBL1801348)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(F)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347373
PNG
(CHEMBL1801341)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cn[nH]c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H20ClFN6O2/c1-13(28-22(33)23(8-9-23)29-21(32)14-11-26-27-12-14)16-7-6-15(10-18(16)25)31-19-5-3-2-4-17(19)20(24)30-31/h2-7,10-13H,8-9H2,1H3,(H,26,27)(H,28,33)(H,29,32)/t13-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347375
PNG
(CHEMBL1801345)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(C)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O2/c1-15-11-17(14-29-13-15)24(34)31-26(9-10-26)25(35)30-16(2)19-8-7-18(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-14,16H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347383
PNG
(CHEMBL1801344)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(Br)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(10-11-25)31-23(34)15-6-9-21(26)29-13-15)17-8-7-16(12-19(17)28)33-20-5-3-2-4-18(20)22(27)32-33/h2-9,12-14H,10-11H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347377
PNG
(CHEMBL1801347)
Show SMILES COc1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O3/c1-15(30-25(35)26(9-10-26)31-24(34)16-11-18(36-2)14-29-13-16)19-8-7-17(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-15H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t15-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347369
PNG
(CHEMBL1801086)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncs1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H19ClFN5O2S/c1-13(27-22(32)23(8-9-23)28-21(31)19-11-26-12-33-19)15-7-6-14(10-17(15)25)30-18-5-3-2-4-16(18)20(24)29-30/h2-7,10-13H,8-9H2,1H3,(H,27,32)(H,28,31)/t13-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347381
PNG
(CHEMBL1801351)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccnnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(9-10-24)30-22(33)15-8-11-27-28-13-15)17-7-6-16(12-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-8,11-14H,9-10H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347363
PNG
(CHEMBL1801085)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243301
PNG
(CHEMBL454085 | Tetrahydrofuran-2-ylmethyl 4-{[(2-b...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)OCC1CCCO1
Show InChI InChI=1S/C25H24N2O6S/c28-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)27-34(30,31)21-14-12-19(13-15-21)26-25(29)33-17-20-9-6-16-32-20/h1-5,7-8,10-15,20,27H,6,9,16-17H2,(H,26,29)
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347372
PNG
(CHEMBL1801340)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1snnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347359
PNG
(CHEMBL1801076)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Br)c2ccccc12 |r|
Show InChI InChI=1S/C24H21BrFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1
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0.810n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243174
PNG
(CHEMBL488662 | N-(2-Benzoylphenyl)-4-[({[3-(3-fluo...)
Show SMILES FC1CCCN(CCCNC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)C1
Show InChI InChI=1S/C28H31FN4O4S/c29-22-10-6-18-33(20-22)19-7-17-30-28(35)31-23-13-15-24(16-14-23)38(36,37)32-26-12-5-4-11-25(26)27(34)21-8-2-1-3-9-21/h1-5,8-9,11-16,22,32H,6-7,10,17-20H2,(H2,30,31,35)
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347353
PNG
(CHEMBL1801354)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)n1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2FN6O2/c1-13(29-23(35)24(8-9-24)31-22(34)18-11-28-12-20(25)30-18)15-7-6-14(10-17(15)27)33-19-5-3-2-4-16(19)21(26)32-33/h2-7,10-13H,8-9H2,1H3,(H,29,35)(H,31,34)/t13-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347355
PNG
(CHEMBL1801072)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347382
PNG
(CHEMBL1801343)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(C)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347374
PNG
(CHEMBL1801342)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cccnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C25H21ClFN5O2/c1-15(29-24(34)25(10-11-25)30-23(33)16-5-4-12-28-14-16)18-9-8-17(13-20(18)27)32-21-7-3-2-6-19(21)22(26)31-32/h2-9,12-15H,10-11H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50202419
PNG
(3,3'-Difluoro-4'-({[1-(2,2,2-trifluoro-acetylamino...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H17F5N2O4/c1-32-17(29)16-13(3-2-4-14(16)22)11-5-6-12(15(23)9-11)10-27-18(30)20(7-8-20)28-19(31)21(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,27,30)(H,28,31)
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243227
PNG
(CHEMBL487876 | N-(2-Benzoyl-phenyl)-4-[3-(3-morpho...)
Show SMILES O=C(NCCCN1CCOCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O5S/c32-26(21-7-2-1-3-8-21)24-9-4-5-10-25(24)30-37(34,35)23-13-11-22(12-14-23)29-27(33)28-15-6-16-31-17-19-36-20-18-31/h1-5,7-14,30H,6,15-20H2,(H2,28,29,33)
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347362
PNG
(CHEMBL1801079)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C#N)c2ccccc12 |r|
Show InChI InChI=1S/C25H21FN6O4/c1-14(28-24(34)25(9-10-25)29-23(33)21-12-22(35-2)31-36-21)16-8-7-15(11-18(16)26)32-20-6-4-3-5-17(20)19(13-27)30-32/h3-8,11-12,14H,9-10H2,1-2H3,(H,28,34)(H,29,33)/t14-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Assay using farnesyl-ras-CVLS as the protein acceptor substrate.


Biochemistry 31: 3800-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
FPTase activity was assayed in the biosynthetically forward direction at 30C.


Biochemistry 31: 3800-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243226
PNG
(CHEMBL486052 | N-(2-Benzoyl-phenyl)-4-{3-[3-(3,3-d...)
Show SMILES FC1(F)CCCN(CCCNC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)C1
Show InChI InChI=1S/C28H30F2N4O4S/c29-28(30)16-6-18-34(20-28)19-7-17-31-27(36)32-22-12-14-23(15-13-22)39(37,38)33-25-11-5-4-10-24(25)26(35)21-8-2-1-3-9-21/h1-5,8-15,33H,6-7,16-20H2,(H2,31,32,36)
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5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347371
PNG
(CHEMBL1801339)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1scnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H21ClFN5O2S/c1-13(28-23(33)24(9-10-24)29-22(32)20-14(2)27-12-34-20)16-8-7-15(11-18(16)26)31-19-6-4-3-5-17(19)21(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347368
PNG
(CHEMBL1801084)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2CCCCc12 |r|
Show InChI InChI=1S/C25H28FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347350
PNG
(CHEMBL1801355)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C21H17ClF4N4O2/c1-11(27-18(31)20(8-9-20)28-19(32)21(24,25)26)13-7-6-12(10-15(13)23)30-16-5-3-2-4-14(16)17(22)29-30/h2-7,10-11H,8-9H2,1H3,(H,27,31)(H,28,32)/t11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347354
PNG
(CHEMBL1801163)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2ccccc12 |r|
Show InChI InChI=1S/C24H22FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h3-8,11-14H,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243229
PNG
(CHEMBL487621 | N-(2-Benzoylphenyl)-4-({[(tetrahydr...)
Show SMILES O=C(NCC1CCCO1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C25H25N3O5S/c29-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)28-34(31,32)21-14-12-19(13-15-21)27-25(30)26-17-20-9-6-16-33-20/h1-5,7-8,10-15,20,28H,6,9,16-17H2,(H2,26,27,30)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347352
PNG
(CHEMBL1801353)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cnccn1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r|
Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)19-13-27-10-11-28-19)16-7-6-15(12-18(16)26)32-20-5-3-2-4-17(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1
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16.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50377955
PNG
(CHEMBL1203967)
Show SMILES CNCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O4S/c1-24-15-16-25-23(29)26-18-11-13-19(14-12-18)32(30,31)27-21-10-6-5-9-20(21)22(28)17-7-3-2-4-8-17/h2-14,24,27H,15-16H2,1H3,(H2,25,26,29)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347356
PNG
(CHEMBL1801073)
Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347361
PNG
(CHEMBL1801078)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(OC)c2ccccc12 |r|
Show InChI InChI=1S/C25H24FN5O5/c1-14(27-24(33)25(10-11-25)28-22(32)20-13-21(34-2)30-36-20)16-9-8-15(12-18(16)26)31-19-7-5-4-6-17(19)23(29-31)35-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242839
PNG
(CHEMBL516783 | N-[4-({[2-(4-Fluorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN2O4S/c1-14(25)23-17-10-12-18(13-11-17)29(27,28)24-20-5-3-2-4-19(20)21(26)15-6-8-16(22)9-7-15/h2-13,24H,1H3,(H,23,25)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243228
PNG
(CHEMBL487620 | N-(2-Benzoylphenyl)-4-({[(2-methoxy...)
Show SMILES COCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C23H23N3O5S/c1-31-16-15-24-23(28)25-18-11-13-19(14-12-18)32(29,30)26-21-10-6-5-9-20(21)22(27)17-7-3-2-4-8-17/h2-14,26H,15-16H2,1H3,(H2,24,25,28)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243115
PNG
(CHEMBL530549 | N-{4-[({2-[(5-Fluoropyridin-2-yl)ca...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cn1
Show InChI InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)19-11-6-14(21)12-22-19/h2-12,24H,1H3,(H,23,25)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347367
PNG
(CHEMBL1801083)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2CCCCc12 |r|
Show InChI InChI=1S/C24H26FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1
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27n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243067
PNG
(CHEMBL469675 | N-[4-({[2-(2,3-Difluorobenzoyl)phen...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C21H16F2N2O4S/c1-13(26)24-14-9-11-15(12-10-14)30(28,29)25-19-8-3-2-5-16(19)21(27)17-6-4-7-18(22)20(17)23/h2-12,25H,1H3,(H,24,26)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50347357
PNG
(CHEMBL1801074)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C2CC2)c2ccccc12 |r|
Show InChI InChI=1S/C27H26FN5O4/c1-15(29-26(35)27(11-12-27)30-25(34)22-14-23(36-2)32-37-22)18-10-9-17(13-20(18)28)33-21-6-4-3-5-19(21)24(31-33)16-7-8-16/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,29,35)(H,30,34)/t15-/m1/s1
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33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 7011-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.121
BindingDB Entry DOI: 10.7270/Q2KS6RX9
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243116
PNG
(CHEMBL488626 | N-{4-[({2-[(6-Fluoropyridin-3-yl)ca...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)nc1
Show InChI InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)14-6-11-19(21)22-12-14/h2-12,24H,1H3,(H,23,25)
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43n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243673
PNG
(CHEMBL471371 | N-[4-(2-Benzoyl-phenylsulfamoyl)-ph...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
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45n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243065
PNG
(CHEMBL470486 | N-[4-({[2-(2,4-Difluorobenzoyl)phen...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C21H16F2N2O4S/c1-13(26)24-15-7-9-16(10-8-15)30(28,29)25-20-5-3-2-4-18(20)21(27)17-11-6-14(22)12-19(17)23/h2-12,25H,1H3,(H,24,26)
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56n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
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