Found 1184 hits with Last Name = 'ma' and Initial = 'bk' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413787
(CHEMBL449380)Show InChI InChI=1S/C12H15ClN6O4/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18) | PDB
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PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010294
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50010301
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413786
(CHEMBL483954)Show InChI InChI=1S/C11H13ClN6O4/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17) | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010294
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010292
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-{2-[4-(7-nit...)Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(CCN3CN(c4ccccc4)C4(CCN(CCCC(=O)c5ccc(F)cc5)CC4)C3=O)cc2)c2[n-][o+]nc12 Show InChI InChI=1S/C37H36FN7O5/c38-28-12-10-27(11-13-28)33(46)7-4-21-42-23-19-37(20-24-42)36(47)43(25-44(37)30-5-2-1-3-6-30)22-18-26-8-14-29(15-9-26)39-31-16-17-32(45(48)49)35-34(31)40-50-41-35/h1-3,5-6,8-17,39H,4,7,18-25H2 | PDB
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| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413798
(CHEMBL488149)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C15H19ClN6O4/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21) | PDB
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| 0.676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413804
(CHEMBL486171)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O4/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26) | PDB
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| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413790
(CHEMBL483969)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C15H19ClN6O4/c1-17-11-7-12(21-15(16)20-11)22(5-19-7)14-9(24)8(23)10(26-14)13(25)18-4-6-2-3-6/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,18,25)(H,17,20,21) | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413791
(CHEMBL483975)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(C)C Show InChI InChI=1S/C16H23ClN6O4/c1-7(2)4-5-19-14(26)11-9(24)10(25)15(27-11)23-6-20-8-12(18-3)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,4-5H2,1-3H3,(H,19,26)(H,18,21,22) | PDB
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| 1.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50453025
(CHEMBL612083)Show SMILES [H][C@@]1(CCc2c(O)cccc2C1)N(CCC)CCc1ccccc1 |r| Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/t19-/m0/s1 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413816
(CHEMBL516346)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C19H21ClN6O4/c1-9-5-3-4-6-10(9)7-22-15-11-16(25-19(20)24-15)26(8-23-11)18-13(28)12(27)14(30-18)17(29)21-2/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25) | PDB
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| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413797
(CHEMBL488148)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C14H17ClN6O4/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20) | PDB
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| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50010290
(5-(4-Amino-phenyl)-8-bromo-3-methyl-2,3,4,5-tetrah...)Show InChI InChI=1S/C17H19BrN2O/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10,19H2,1H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413817
(CHEMBL473502)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C20H23ClN6O4/c1-3-22-18(30)15-13(28)14(29)19(31-15)27-9-24-12-16(25-20(21)26-17(12)27)23-8-11-7-5-4-6-10(11)2/h4-7,9,13-15,19,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413789
(CHEMBL521312)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C14H17ClN6O4/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20) | PDB
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| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413803
(CHEMBL487754)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23) | PDB
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| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413806
(CHEMBL486374)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H20ClIN6O4/c21-20-26-16(23-7-9-2-1-3-10(22)6-9)12-17(27-20)28(8-24-12)19-14(30)13(29)15(32-19)18(31)25-11-4-5-11/h1-3,6,8,11,13-15,19,29-30H,4-5,7H2,(H,25,31)(H,23,26,27) | PDB
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PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010294
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413807
(CHEMBL516058)Show SMILES OC1C(O)C(OC1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28) | PDB
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| 3.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413802
(CHEMBL488777)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O4/c1-18-14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(20-7-4-2-3-5-7)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22) | PDB
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| 4.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010296
((S)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetr...)Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)/t29-/m0/s1 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50010295
(8-Bromo-3-methyl-5-[4-(7-nitro-benzo[1,2,5]oxadiaz...)Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1 Show InChI InChI=1S/C23H20BrN5O4/c1-28-9-8-14-10-18(24)21(30)11-16(14)17(12-28)13-2-4-15(5-3-13)25-19-6-7-20(29(31)32)23-22(19)26-33-27-23/h2-7,10-11,17,25,30H,8-9,12H2,1H3 | PDB
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| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413799
(CHEMBL487334)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C16H19ClN6O4/c17-16-21-12(19-6-1-2-6)8-13(22-16)23(5-18-8)15-10(25)9(24)11(27-15)14(26)20-7-3-4-7/h5-7,9-11,15,24-25H,1-4H2,(H,20,26)(H,19,21,22) | PDB
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| 5.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50453024
(CHEMBL2092940)Show SMILES CCCN(CCc1ccc(C)cc1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C22H29NO/c1-3-14-23(15-13-18-9-7-17(2)8-10-18)20-11-12-21-19(16-20)5-4-6-22(21)24/h4-10,20,24H,3,11-16H2,1-2H3/t20-/m0/s1 | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010293
((RS)6-{[2-(4-Amino-phenyl)-ethyl]-propyl-amino}-5,...)Show InChI InChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3 | PDB
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010300
((RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tet...)Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52) | PDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182573
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-...)Show InChI InChI=1S/C15H19Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h6-7,10,14H,2-5,8-9H2,1H3 | NCI pathway
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PubMed
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50010289
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182565
(4-methyl-2-pyrrolidin-1-yl-1-(4-methylphenyl)penta...)Show InChI InChI=1S/C17H25NO/c1-13(2)12-16(18-10-4-5-11-18)17(19)15-8-6-14(3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3 | NCI pathway
Reactome pathway
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| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50010288
(5-[4-(7-bromo-8-hydroxy-3-methyl-2,3,4,5-tetrahydr...)Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1 Show InChI InChI=1S/C38H30BrN3O6S/c1-42-13-12-21-14-32(39)33(45)18-26(21)28(19-42)20-2-4-22(5-3-20)40-37(49)41-23-6-9-29-27(15-23)36(46)48-38(29)30-10-7-24(43)16-34(30)47-35-17-25(44)8-11-31(35)38/h2-11,14-18,28,43-45H,12-13,19H2,1H3,(H2,40,41,49) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey |
J Med Chem 34: 3235-41 (1991)
BindingDB Entry DOI: 10.7270/Q2KS6S5V |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413794
(CHEMBL390877)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C18H18ClFN6O4/c1-21-14-10-15(25-18(19)24-14)26(7-23-10)17-12(28)11(27)13(30-17)16(29)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,22,29)(H,21,24,25) | PDB
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| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182560
((1S)-1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1...)Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3/t15-/m0/s1 | NCI pathway
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| 18.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413808
(CHEMBL474509)Show SMILES OC1C(O)C(OC1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28) | PDB
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| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182546
(1-naphthalen-2-yl-2-pyrrolidin-1-yl-pentan-1-one |...)Show InChI InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3 | NCI pathway
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| 20.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182555
(1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one ...)Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3 | NCI pathway
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| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50105742
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)| Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16- | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01173
BindingDB Entry DOI: 10.7270/Q2P84GZF |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413818
(CHEMBL474310)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C21H23ClN6O4/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27) | PDB
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| 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182562
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-butan-1-o...)Show InChI InChI=1S/C14H17Cl2NO/c1-2-13(17-7-3-4-8-17)14(18)10-5-6-11(15)12(16)9-10/h5-6,9,13H,2-4,7-8H2,1H3 | NCI pathway
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Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413819
(CHEMBL474311)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C22H25ClN6O4/c1-11-4-2-3-5-13(11)9-24-18-14-19(28-22(23)27-18)29(10-26-14)21-16(31)15(30)17(33-21)20(32)25-8-12-6-7-12/h2-5,10,12,15-17,21,30-31H,6-9H2,1H3,(H,25,32)(H,24,27,28) | PDB
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Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182579
(CHEMBL379679 | N-[4-(2-pyrrolidin-1-yl-pentanoyl)p...)Show InChI InChI=1S/C17H24N2O2/c1-3-6-16(19-11-4-5-12-19)17(21)14-7-9-15(10-8-14)18-13(2)20/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,20) | NCI pathway
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Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50182546
(1-naphthalen-2-yl-2-pyrrolidin-1-yl-pentan-1-one |...)Show InChI InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3 | PDB
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Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182584
(2pyrrolidin-1-yl-1-phenylpentan-1-one | CHEMBL2050...)Show InChI InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3 | NCI pathway
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Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182573
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-...)Show InChI InChI=1S/C15H19Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h6-7,10,14H,2-5,8-9H2,1H3 | Reactome pathway
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| 37.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50284506
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01173
BindingDB Entry DOI: 10.7270/Q2P84GZF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50182564
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pent-4-en...)Show InChI InChI=1S/C15H17Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h2,6-7,10,14H,1,3-5,8-9H2 | NCI pathway
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| 39.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
J Med Chem 49: 1420-32 (2006)
Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413805
(CHEMBL486373)Show SMILES CC(C)CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C22H26ClIN6O4/c1-11(2)6-7-25-20(33)17-15(31)16(32)21(34-17)30-10-27-14-18(28-22(23)29-19(14)30)26-9-12-4-3-5-13(24)8-12/h3-5,8,10-11,15-17,21,31-32H,6-7,9H2,1-2H3,(H,25,33)(H,26,28,29) | PDB
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Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022
BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50135570
(3-(3,4-Dimethoxy-phenyl)-8-methyl-8-aza-bicyclo[3....)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(OC)c(OC)c1)N2C |TLB:11:10:21:6.7,THB:2:4:21:6.7| Show InChI InChI=1S/C18H25NO4/c1-19-12-6-7-14(19)17(18(20)23-4)13(10-12)11-5-8-15(21-2)16(9-11)22-3/h5,8-9,12-14,17H,6-7,10H2,1-4H3 | PDB
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Organix Inc.
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]RT155 to Serotonin transporter in HEK cells |
Bioorg Med Chem Lett 13: 4133-7 (2003)
BindingDB Entry DOI: 10.7270/Q2DJ5G67 |
More data for this
Ligand-Target Pair | |
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