Found 9812 hits with Last Name = 'gill' 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 1
(Homo sapiens (Human)) | BDBM50176988
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.000350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor (unknown origin) |
J Med Chem 51: 3526-39 (2008)
Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X |
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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PDB Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507669
(CHEMBL4539170)Show InChI InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR... |
Bioorg Med Chem Lett 29: 674-680 (2019)
Article DOI: 10.1016/j.bmcl.2018.10.017 BindingDB Entry DOI: 10.7270/Q2HH6PCX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200170
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| 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)/t22-,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas-Pan American
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor expressed in CHO cells |
J Med Chem 56: 6593-612 (2013)
Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448127
(CHEMBL3122119 | US9212173, 44)Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-9(15(16,17)18)7-21-13(23-12)22-11-6-10(24-25(11)4)14(2,3)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448118
(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| DrugBank Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50534464
(CHEMBL4483714)Show SMILES CCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50534464
(CHEMBL4483714)Show SMILES CCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.859 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448126
(CHEMBL3122105 | US9212186, 22)Show InChI InChI=1S/C14H17F3N6O/c1-13(2)7-23-10(6-24-13)9(5-20-23)21-12-19-4-8(14(15,16)17)11(18-3)22-12/h4-5H,6-7H2,1-3H3,(H2,18,19,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398668
(CHEMBL2178134 | US8802674, 256)Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398662
(CHEMBL2178140)Show SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F Show InChI InChI=1S/C19H23F4N5O3/c1-5-24-15-11(19(21,22)23)8-25-17(28-15)27-13-7-12(20)10(6-14(13)31-4)16(29)26-9-18(2,3)30/h6-8,30H,5,9H2,1-4H3,(H,26,29)(H2,24,25,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448117
(CHEMBL3122114)Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-21-24(8)13(2,3)7-18)22-12-20-5-9(14(15,16)17)11(19-4)23-12/h5-6H,1-4H3,(H2,19,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50534476
(CHEMBL4443660)Show SMILES CCCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398676
(CHEMBL2178125)Show SMILES CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O4/c1-23-16-12(19(20,21)22)10-24-18(26-16)25-13-9-14(29-2)11(8-15(13)30-3)17(28)27-4-6-31-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398667
(CHEMBL2178135)Show SMILES COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F Show InChI InChI=1S/C20H21F4N5O3/c1-31-16-8-12(18(30)29-4-6-32-7-5-29)14(21)9-15(16)27-19-25-10-13(20(22,23)24)17(28-19)26-11-2-3-11/h8-11H,2-7H2,1H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50148370
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments |
Bioorg Med Chem Lett 14: 3481-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation |
J Med Chem 45: 2708-19 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DQW |
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 Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells |
J Med Chem 51: 3526-39 (2008)
Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation |
J Med Chem 45: 2708-19 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DQW |
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 Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 53: 7048-60 (2010)
Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50534476
(CHEMBL4443660)Show SMILES CCCc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507673
(CHEMBL4441650)Show InChI InChI=1S/C16H21N7O/c1-10(2)23-9-13(20-22-23)15-14-12(19-21-15)3-6-17-16(14)18-11-4-7-24-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,18)(H,19,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR... |
Bioorg Med Chem Lett 29: 674-680 (2019)
Article DOI: 10.1016/j.bmcl.2018.10.017 BindingDB Entry DOI: 10.7270/Q2HH6PCX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471438
(CHEMBL122884)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC Show InChI InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471436
(CHEMBL123120)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-25(2)24-29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50060605
((5Z,8Z,11Z,14Z)-16,16-Dimethyl-docosa-5,8,11,14-te...)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448114
(CHEMBL3122120)Show InChI InChI=1S/C13H15F3N6O/c1-7-10(4-19-22(7)8-5-23-6-8)20-12-18-3-9(13(14,15)16)11(17-2)21-12/h3-4,8H,5-6H2,1-2H3,(H2,17,18,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448113
(CHEMBL3122121)Show InChI InChI=1S/C15H19F3N6O/c1-9-12(8-21-24(9)10-3-5-25-6-4-10)22-14-20-7-11(15(16,17)18)13(19-2)23-14/h7-8,10H,3-6H2,1-2H3,(H2,19,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448111
(CHEMBL3122116)Show SMILES CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H23F4N7O/c1-10-14(25-17-24-5-12(18(20,21)22)16(23-2)26-17)7-29(27-10)15-3-4-28(6-13(15)19)11-8-30-9-11/h5,7,11,13,15H,3-4,6,8-9H2,1-2H3,(H2,23,24,25,26)/t13-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448110
(CHEMBL3122117)Show SMILES CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50396150
(CHEMBL2171743)Show InChI InChI=1S/C17H20BrN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50396148
(CHEMBL2171745 | US8802674, 50)Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398677
(CHEMBL2178124 | US8802674, 292)Show SMILES CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H19ClF3N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-13-8-12(19)10(7-14(13)29-2)16(28)27-3-5-30-6-4-27/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398672
(CHEMBL2178130)Show SMILES CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O3/c1-11-8-14(25-18-24-10-13(19(20,21)22)16(23-2)26-18)15(29-3)9-12(11)17(28)27-4-6-30-7-5-27/h8-10H,4-7H2,1-3H3,(H2,23,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50398665
(CHEMBL2178137 | US9145402, 15)Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F Show InChI InChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay |
J Med Chem 55: 9416-33 (2012)
Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50448115
(CHEMBL3122118)Show InChI InChI=1S/C13H11ClF3N7/c1-19-10-7(13(15,16)17)4-20-11(23-10)22-8-5-21-24(9(8)14)12(6-18)2-3-12/h4-5H,2-3H2,1H3,(H2,19,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of LRRK2 (unknown origin) |
J Med Chem 57: 921-36 (2014)
Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50068669
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200170
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| 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)/t22-,27-,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas-Pan American
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay |
J Med Chem 56: 6593-612 (2013)
Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50328956
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 53: 7048-60 (2010)
Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50212395
(CHEMBL123515)Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C27H27NO2/c1-29-27-11-10-20(24-7-4-5-9-26(24)27)18-22-19-21(23-6-2-3-8-25(22)23)12-13-28-14-16-30-17-15-28/h2-11,18-19H,12-17H2,1H3/b22-18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50534485
(CHEMBL4435655)Show InChI InChI=1S/C24H22FNO/c1-2-3-6-14-26-16-22(20-13-12-18(25)15-23(20)26)24(27)21-11-7-9-17-8-4-5-10-19(17)21/h4-5,7-13,15-16H,2-3,6,14H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation |
J Med Chem 45: 2708-19 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DQW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50056468
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...)Show InChI InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950 BindingDB Entry DOI: 10.7270/Q261131W |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50534457
(CHEMBL4444832)Show SMILES CCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12 Show InChI InChI=1S/C27H27F2NO/c1-2-9-19-14-15-22(21-11-5-4-10-20(19)21)27(31)23-18-30(17-7-3-6-16-28)25-13-8-12-24(29)26(23)25/h4-5,8,10-15,18H,2-3,6-7,9,16-17H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50068666
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50068666
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1 |t:2| Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50534481
(CHEMBL4516360)Show InChI InChI=1S/C24H22FNO/c1-2-3-6-15-26-16-21(19-12-8-14-22(25)23(19)26)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16H,2-3,6,15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50068669
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor |
J Med Chem 59: 7525-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00516 BindingDB Entry DOI: 10.7270/Q2862KX2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50068669
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Kennesaw State University
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand |
J Med Chem 41: 5177-87 (1999)
Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ |
More data for this Ligand-Target Pair | |