Found 580 hits with Last Name = 'farce' and Initial = 'a' 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 |
|---|
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50112208
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19) | PDB
MMDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2 |
Eur J Med Chem 46: 1622-9 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM93025
(CB2 Inhibitor, 1)Show SMILES CCCCCC(C)C(C)c1cc(O)c2C3=C(CCN(C3)C#C)C(C)(C)Oc2c1 |t:14| Show InChI InChI=1S/C25H35NO2/c1-7-9-10-11-17(3)18(4)19-14-22(27)24-20-16-26(8-2)13-12-21(20)25(5,6)28-23(24)15-19/h2,14-15,17-18,27H,7,9-13,16H2,1,3-6H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire de Chimie Thérapeutique
| Assay Description
Competitive binding assay using cannabinoid receptors. |
Chem Biol Drug Des 81: 442-454 (2013)
Article DOI: 10.1111/cbdd.12095
BindingDB Entry DOI: 10.7270/Q20000PK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
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| DrugBank
Article
PubMed
| 5.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067499
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180026
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29) | PDB
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| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
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| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180020
(4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |TLB:14:15:20.13.12:21,22:11:20:17.14.15,THB:14:13:21:17.15.22,10:11:20:17.14.15,22:15:20:12.11.21,16:15:20:12.11.21,16:15:20.13.12:21| Show InChI InChI=1S/C27H36N2O2/c1-4-5-8-11-29-15-21(23(30)20-9-6-7-10-22(20)29)24(31)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,31) | PDB
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| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180040
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29) | PDB
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| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
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| 20.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476799
(CHEMBL397282)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cc(OC)c(OC)c(OC)c45)c3)c2c(OC)c1OC Show InChI InChI=1S/C34H38N2O6/c1-35-14-12-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-10-9-11-22(16-21)18-26-30-24(13-15-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476809
(CHEMBL394773)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC Show InChI InChI=1S/C32H34N2O4/c1-33-13-11-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-9-7-8-10-22(21)16-28-26-20-32(38-6)30(36-4)18-24(26)12-14-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476802
(CHEMBL395568)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC Show InChI InChI=1S/C34H38N2O6/c1-35-15-13-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-11-9-10-12-22(21)18-26-30-24(14-16-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180021
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1 | PDB
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| 37.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476800
(CHEMBL242790)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(CCCCc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC Show InChI InChI=1S/C30H38N2O6/c1-31-15-13-19-17-23(33-3)27(35-5)29(37-7)25(19)21(31)11-9-10-12-22-26-20(14-16-32(22)2)18-24(34-4)28(36-6)30(26)38-8/h13-18H,9-12H2,1-8H3/q+2 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544690
(CHEMBL4647719)Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r| Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
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| 51.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180028
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29) | PDB
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| 60.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50416603
(CHEMBL1222883)Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180044
((RS)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydro...)Show SMILES CCCCCn1cc(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27) | PDB
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| 70.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544691
(CHEMBL4635391)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544693
(CHEMBL4635968)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccoc2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1 | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476798
(CHEMBL242789)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(CCCc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC Show InChI InChI=1S/C29H36N2O6/c1-30-14-12-18-16-22(32-3)26(34-5)28(36-7)24(18)20(30)10-9-11-21-25-19(13-15-31(21)2)17-23(33-4)27(35-6)29(25)37-8/h12-17H,9-11H2,1-8H3/q+2 | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476801
(CHEMBL241952)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cc(OC)c(OC)cc45)c3)c2cc1OC Show InChI InChI=1S/C32H34N2O4/c1-33-12-10-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-8-7-9-22(14-21)16-28-26-20-32(38-6)30(36-4)18-24(26)11-13-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2 | PDB
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| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544694
(CHEMBL4648310)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccco2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1 | PDB
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| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180038
((R)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)/t19-/m1/s1 | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476807
(CHEMBL242791)Show SMILES [I-].[I-].C[n+]1ccc2ccccc2c1Cc1cccc(Cc2[n+](C)ccc3ccccc23)c1 Show InChI InChI=1S/C28H26N2/c1-29-16-14-23-10-3-5-12-25(23)27(29)19-21-8-7-9-22(18-21)20-28-26-13-6-4-11-24(26)15-17-30(28)2/h3-18H,19-20H2,1-2H3/q+2 | PDB
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM93026
(CB2 Inhibitor, 2)Show SMILES Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C22H21FN4O2S/c1-12-8-13(2)25-20(28)18(12)10-24-21(29)19-9-17-14(3)26-27(22(17)30-19)11-15-4-6-16(23)7-5-15/h4-9H,10-11H2,1-3H3,(H,24,29)(H,25,28) | PDB
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| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire de Chimie Thérapeutique
| Assay Description
Competitive binding assay using cannabinoid receptors. |
Chem Biol Drug Des 81: 442-454 (2013)
Article DOI: 10.1111/cbdd.12095
BindingDB Entry DOI: 10.7270/Q20000PK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544696
(CHEMBL4642922)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1 | PDB
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| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476803
(CHEMBL242579)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(CCCCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC Show InChI InChI=1S/C29H36N2O4/c1-30-14-12-20-16-26(32-3)28(34-5)18-22(20)24(30)10-8-7-9-11-25-23-19-29(35-6)27(33-4)17-21(23)13-15-31(25)2/h12-19H,7-11H2,1-6H3/q+2 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476813
(CHEMBL241953)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cc(OC)c(OC)cc45)cc3)c2cc1OC Show InChI InChI=1S/C32H34N2O4/c1-33-13-11-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-7-9-22(10-8-21)16-28-26-20-32(38-6)30(36-4)18-24(26)12-14-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2 | PDB
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| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476810
(CHEMBL242578)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(CCCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC Show InChI InChI=1S/C28H34N2O4/c1-29-13-11-19-15-25(31-3)27(33-5)17-21(19)23(29)9-7-8-10-24-22-18-28(34-6)26(32-4)16-20(22)12-14-30(24)2/h11-18H,7-10H2,1-6H3/q+2 | PDB
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| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180030
((RS)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-d...)Show SMILES CCCCCn1cc(C(=O)NC(C)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31) | PDB
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| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544697
(CHEMBL2218759)Show InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1 | PDB
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| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476805
(CHEMBL390923)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(CCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC Show InChI InChI=1S/C27H32N2O4/c1-28-12-10-18-14-24(30-3)26(32-5)16-20(18)22(28)8-7-9-23-21-17-27(33-6)25(31-4)15-19(21)11-13-29(23)2/h10-17H,7-9H2,1-6H3/q+2 | PDB
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| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180041
(CHEMBL201175 | N3-(phenethyl)-4-oxo-1-pentyl-1,4-d...)Show InChI InChI=1S/C23H26N2O2/c1-2-3-9-16-25-17-20(22(26)19-12-7-8-13-21(19)25)23(27)24-15-14-18-10-5-4-6-11-18/h4-8,10-13,17H,2-3,9,14-16H2,1H3,(H,24,27) | PDB
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| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50048403
(1,1'-(Deca-4,6-diyne-1,10-diyl)bis(4-amino-2-methy...)Show SMILES Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc12 Show InChI InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2 | PDB
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| 221 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544695
(CHEMBL4648902)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1 | PDB
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| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476806
(CHEMBL244261)Show SMILES [I-].[I-].COc1cc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cc(OC)c(OC)c(OC)c45)cc3)c2c(OC)c1OC Show InChI InChI=1S/C34H38N2O6/c1-35-15-13-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-9-11-22(12-10-21)18-26-30-24(14-16-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2 | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180027
(CHEMBL199907 | N3-(1-naphthyl)-4-oxo-1-pentyl-1,4-...)Show SMILES CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29) | PDB
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| 371 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180039
(CHEMBL201056 | N3-(2-(benzo[1,3]dioxol-5-yl)ethyl)...)Show SMILES CCCCCn1cc(C(=O)NCCc2ccc3OCOc3c2)c(=O)c2ccccc12 Show InChI InChI=1S/C24H26N2O4/c1-2-3-6-13-26-15-19(23(27)18-7-4-5-8-20(18)26)24(28)25-12-11-17-9-10-21-22(14-17)30-16-29-21/h4-5,7-10,14-15H,2-3,6,11-13,16H2,1H3,(H,25,28) | PDB
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| 426 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1/2/3
(Rattus norvegicus-RAT-Rattus norvegicus (Rat)) | BDBM50476804
(CHEMBL390924)Show SMILES [I-].[I-].C[n+]1ccc2ccccc2c1Cc1ccccc1Cc1[n+](C)ccc2ccccc12 Show InChI InChI=1S/C28H26N2/c1-29-17-15-21-9-5-7-13-25(21)27(29)19-23-11-3-4-12-24(23)20-28-26-14-8-6-10-22(26)16-18-30(28)2/h3-18H,19-20H2,1-2H3/q+2 | PDB
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| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description
Displacement of [125I]apamin from SK channel in Wistar rat cortex |
J Med Chem 50: 5070-5 (2007)
Article DOI: 10.1021/jm070412j
BindingDB Entry DOI: 10.7270/Q28055C0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180042
(CHEMBL200179 | N3-(1-naphthyl)-1-butyl-4-oxo-1,4-d...)Show SMILES CCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C24H22N2O2/c1-2-3-15-26-16-20(23(27)19-12-6-7-14-22(19)26)24(28)25-21-13-8-10-17-9-4-5-11-18(17)21/h4-14,16H,2-3,15H2,1H3,(H,25,28) | PDB
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| 455 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50544692
(CHEMBL4638071)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2nccs2)c(Cl)c1 |r| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)7-10)8-19-14(22)12-3-4-13(21)20(12)15-18-5-6-23-15/h1-2,5-7,12H,3-4,8H2,(H,19,22)/t12-/m0/s1 | PDB
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| 489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method |
J Med Chem 63: 2074-2094 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM93027
(CB2 Inhibitor, 3)Show SMILES CC1N(C)c2ccc(cc2C1(C)C)P(=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26NOP/c1-18-24(2,3)22-17-21(15-16-23(22)25(18)4)27(26,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3 | PDB
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire de Chimie Thérapeutique
| Assay Description
Competitive binding assay using cannabinoid receptors. |
Chem Biol Drug Des 81: 442-454 (2013)
Article DOI: 10.1111/cbdd.12095
BindingDB Entry DOI: 10.7270/Q20000PK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180032
((R)-N3-(1-(2-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc12 Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-16-29-18-24(26(30)23-12-7-8-13-25(23)29)27(31)28-19(2)21-15-14-20-10-5-6-11-22(20)17-21/h5-8,10-15,17-19H,3-4,9,16H2,1-2H3,(H,28,31)/t19-/m1/s1 | PDB
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| 584 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180025
(CHEMBL381431 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O |TLB:12:9:4:7.2.1,0:1:4.3.10:8,THB:2:3:8:7.1.11,2:1:4.3.10:8,11:1:4:10.9.8,11:9:4:7.2.1,0:1:4:10.9.8| Show InChI InChI=1S/C29H32N2O2/c1-27-12-21-13-28(2,17-27)19-29(14-21,18-27)30-26(33)23-16-31(15-20-8-4-3-5-9-20)24-11-7-6-10-22(24)25(23)32/h3-11,16,21H,12-15,17-19H2,1-2H3,(H,30,33) | PDB
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| 664 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180024
(CHEMBL373169 | N3-(4-cyanophenyl)-4-oxo-1-pentyl-1...)Show SMILES CCCCCn1cc(C(=O)Nc2ccc(cc2)C#N)c(=O)c2ccccc12 Show InChI InChI=1S/C22H21N3O2/c1-2-3-6-13-25-15-19(21(26)18-7-4-5-8-20(18)25)22(27)24-17-11-9-16(14-23)10-12-17/h4-5,7-12,15H,2-3,6,13H2,1H3,(H,24,27) | PDB
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| 772 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180037
((S)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)Show SMILES CCCCCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m0/s1 | PDB
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| 784 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180031
(CHEMBL200100 | N3-(1-naphthyl)-1-hexyl-4-oxo-1,4-d...)Show SMILES CCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C26H26N2O2/c1-2-3-4-9-17-28-18-22(25(29)21-14-7-8-16-24(21)28)26(30)27-23-15-10-12-19-11-5-6-13-20(19)23/h5-8,10-16,18H,2-4,9,17H2,1H3,(H,27,30) | PDB
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| 844 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
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