Found 544 hits with Last Name = 'barczyk' 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 |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397390
(CHEMBL2170545)Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(25.24,-38.56,;26.58,-39.34,;27.92,-38.57,;29.25,-39.35,;30.6,-38.58,;31.93,-39.36,;33.27,-38.58,;34.61,-39.36,;35.95,-38.59,;35.95,-37.05,;37.29,-39.37,;38.73,-38.65,;39.88,-37.52,;41.08,-38.03,;42.39,-37.76,;42.46,-36.35,;41.19,-35.76,;39.93,-36.15,;40.18,-36.86,;40.13,-38.32,;41.4,-38.9,;34.61,-40.91,;35.94,-41.68,;33.26,-41.67,;31.93,-40.9,;30.59,-41.67,)| Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-13-19(20(25)7-14(24)2)22(26)23-21-17-9-15-8-16(11-17)12-18(21)10-15/h7,13,15-18,21H,3-6,8-12H2,1-2H3,(H,23,26) | PDB
Reactome pathway
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397387
(CHEMBL2170532)Show SMILES Cc1cc(=O)c(cn1CCCC(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C21H27F3N2O2/c1-13-5-18(27)17(12-26(13)4-2-3-21(22,23)24)19(28)25-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,12,14-16H,2-4,6-11H2,1H3,(H,25,28) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081023
(CHEMBL3421699)Show SMILES CCCCCn1cc2c(nn(CC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C26H33N3O/c1-2-3-6-9-28-16-22-24(21-7-4-5-8-23(21)28)27-29(25(22)30)17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202986
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620
BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081021
(CHEMBL3421697)Show InChI InChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50536919
(CHEMBL4550236)Show SMILES CCS(=O)(=O)Nc1ccc2n(CC3CCC(F)(F)CC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3 | PDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Agonist activity at human CB2 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321276
(N-[3-(benzylmethylamino)propyl]-3,4-dichlorobenzam...)Show InChI InChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)15-8-9-16(19)17(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321285
(N-(2-(benzyl(methyl)amino)ethyl)-4-cyanobenzamide ...)Show InChI InChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-20-18(22)17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321262
(N-[3-(benzylmethylamino)propyl]-4-trifluoromethylb...)Show InChI InChI=1S/C19H21F3N2O/c1-24(14-15-6-3-2-4-7-15)13-5-12-23-18(25)16-8-10-17(11-9-16)19(20,21)22/h2-4,6-11H,5,12-14H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
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
Reactome pathway
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CHEMBL
MCE
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PDB
UniChem
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| PDB
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321261
(N-[3-(benzylmethylamino)propyl]-4-tertbutylbenzami...)Show InChI InChI=1S/C22H30N2O/c1-22(2,3)20-13-11-19(12-14-20)21(25)23-15-8-16-24(4)17-18-9-6-5-7-10-18/h5-7,9-14H,8,15-17H2,1-4H3,(H,23,25) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620
BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321268
(N-[4-(benzylmethylamino)butyl]-4-chlorobenzamide |...)Show InChI InChI=1S/C19H23ClN2O/c1-22(15-16-7-3-2-4-8-16)14-6-5-13-21-19(23)17-9-11-18(20)12-10-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394715
(CHEMBL2165804)Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620
BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321281
(N-[3-(benzylmethylamino)propyl]-3-dimethylaminoben...)Show InChI InChI=1S/C20H27N3O/c1-22(2)19-12-7-11-18(15-19)20(24)21-13-8-14-23(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,21,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321273
(N-[3-(benzylmethylamino)propyl]-4-bromobenzamide |...)Show InChI InChI=1S/C18H21BrN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321278
(N-[3-(benzylmethylamino)propyl]-4-bromo-2-fluorobe...)Show InChI InChI=1S/C18H20BrFN2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)16-9-8-15(19)12-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50276859
(CHEMBL4174984)Show InChI InChI=1S/C18H23ClN2/c1-21(15-17-6-3-2-4-7-17)13-5-12-20-14-16-8-10-18(19)11-9-16/h2-4,6-11,20H,5,12-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
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
Reactome pathway
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CHEMBL
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PC cid
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| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method |
Eur J Med Chem 146: 68-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321267
(N-[3-(benzylmethylamino)propyl]-4-chlorobenzamide ...)Show InChI InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321286
(N-(2-(benzyl(methyl)amino)ethyl)-4-nitrobenzamide ...)Show SMILES CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C17H19N3O3/c1-19(13-14-5-3-2-4-6-14)12-11-18-17(21)15-7-9-16(10-8-15)20(22)23/h2-10H,11-13H2,1H3,(H,18,21) | PDB
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Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50276860
(CHEMBL4176123)Show InChI InChI=1S/C17H19ClN2O/c1-20(13-14-5-3-2-4-6-14)12-11-19-17(21)15-7-9-16(18)10-8-15/h2-10H,11-13H2,1H3,(H,19,21) | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321259
(N-[3-(benzylmethylamino)propyl]-4-propylbenzamide ...)Show InChI InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24) | PDB
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Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321272
(N-[3-(benzylmethylamino)propyl]-3-bromobenzamide |...)Show InChI InChI=1S/C18H21BrN2O/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22) | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50382491
(CHEMBL2024114 | US10988455, Example 1(xlii))Show InChI InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20) | PDB
MMDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620
BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081031
(CHEMBL3421694)Show InChI InChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321269
(N-[3-(N-methyl-2-phenylethylamino)propyl]-4-chloro...)Show InChI InChI=1S/C19H23ClN2O/c1-22(15-12-16-6-3-2-4-7-16)14-5-13-21-19(23)17-8-10-18(20)11-9-17/h2-4,6-11H,5,12-15H2,1H3,(H,21,23) | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321283
(N-[3-(benzylmethylamino)propyl]-4-nitrobenzamide |...)Show SMILES CN(CCCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C18H21N3O3/c1-20(14-15-6-3-2-4-7-15)13-5-12-19-18(22)16-8-10-17(11-9-16)21(23)24/h2-4,6-11H,5,12-14H2,1H3,(H,19,22) | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50276871
(CHEMBL4164330)Show InChI InChI=1S/C17H21ClN2O2S/c1-20(14-15-6-3-2-4-7-15)13-5-12-19-23(21,22)17-10-8-16(18)9-11-17/h2-4,6-11,19H,5,12-14H2,1H3 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397391
(CHEMBL2170544)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C24H36N2O2/c1-4-5-6-7-26-15-21(22(27)8-16(26)2)23(28)25-17(3)24-12-18-9-19(13-24)11-20(10-18)14-24/h8,15,17-20H,4-7,9-14H2,1-3H3,(H,25,28) | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50276863
(CHEMBL4166747)Show InChI InChI=1S/C17H18Cl2N2O/c1-21(12-13-6-3-2-4-7-13)11-10-20-17(22)14-8-5-9-15(18)16(14)19/h2-9H,10-12H2,1H3,(H,20,22) | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50276861
(CHEMBL4173950)Show InChI InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22) | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321260
(N-[3-(benzylmethylamino)propyl]-4-butylbenzamide |...)Show InChI InChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25) | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081029
(CHEMBL3421695)Show InChI InChI=1S/C21H29N3O/c1-3-5-7-11-15-24-21(25)18-16-23(14-10-6-4-2)19-13-9-8-12-17(19)20(18)22-24/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3 | PDB
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| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081022
(CHEMBL3421698)Show InChI InChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
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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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397396
(CHEMBL2170550)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C27H42N2O2/c1-6-7-8-9-29-17-22(23(30)13-24(29)26(3,4)5)25(31)28-18(2)27-14-19-10-20(15-27)12-21(11-19)16-27/h13,17-21H,6-12,14-16H2,1-5H3,(H,28,31) | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397393
(CHEMBL2170547)Show InChI InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25) | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397395
(CHEMBL2170549)Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C(C)(C)C |TLB:20:19:17:13.14.15,THB:10:11:17:13.14.15,20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,(4.03,-16.9,;5.37,-17.68,;6.72,-16.91,;8.05,-17.69,;9.39,-16.91,;10.72,-17.69,;12.07,-16.92,;13.41,-17.7,;14.74,-16.93,;14.75,-15.38,;16.08,-17.71,;17.52,-16.99,;18.67,-15.86,;19.88,-16.36,;21.18,-16.1,;21.25,-14.69,;19.98,-14.1,;18.72,-14.49,;18.98,-15.2,;18.92,-16.66,;20.19,-17.24,;13.4,-19.24,;14.74,-20.02,;12.06,-20.01,;10.72,-19.24,;9.38,-20,;9.38,-21.54,;8.05,-19.23,;8.04,-20.77,)| Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-27-15-20(21(28)14-22(27)25(2,3)4)24(29)26-23-18-10-16-9-17(12-18)13-19(23)11-16/h14-19,23H,5-13H2,1-4H3,(H,26,29) | PDB
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PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081015
(CHEMBL3421696)Show InChI InChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321274
(N-[3-(benzylmethylamino)propyl]-2,3-dichlorobenzam...)Show InChI InChI=1S/C18H20Cl2N2O/c1-22(13-14-7-3-2-4-8-14)12-6-11-21-18(23)15-9-5-10-16(19)17(15)20/h2-5,7-10H,6,11-13H2,1H3,(H,21,23) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM321265
(N-[3-(benzylmethylamino)propyl]-3-chlorobenzamide ...)Show InChI InChI=1S/C18H21ClN2O/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting |
Eur J Med Chem 138: 964-978 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397397
(CHEMBL2170551)Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30) | PDB
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| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
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| PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620
BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50536919
(CHEMBL4550236)Show SMILES CCS(=O)(=O)Nc1ccc2n(CC3CCC(F)(F)CC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Agonist activity at human CB1 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50005917
(CHEMBL3234681)Show SMILES [H][C@]12CC[C@]([H])(C1)c1c2c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Agonist activity at human CB2 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50397383
(CHEMBL2170526)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29) | PDB
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PubMed
| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting |
J Med Chem 55: 8948-52 (2012)
Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50536913
(CHEMBL4517991)Show SMILES CCCCCn1c2ccc(cc2sc1=O)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18| Show InChI InChI=1S/C23H29NO2S/c1-2-3-4-7-24-19-6-5-18(11-20(19)27-22(24)26)21(25)23-12-15-8-16(13-23)10-17(9-15)14-23/h5-6,11,15-17H,2-4,7-10,12-14H2,1H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008
BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this
Ligand-Target Pair | |
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