Found 4712 hits with Last Name = 'grether' and Initial = 'u' 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)) | BDBM50429823
(CHEMBL2338173)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044 BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603932
((+)-trans-Ethyl 2-ethyl-2-{[6-({-2-[(fluoromethoxy...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2COCF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603936
((+)-trans-2-Fluoroethyl 2-ethyl-2-{[6-{[-2-(hydrox...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603935
((−)-trans-Fluoromethyl 2-ethyl-2-{[6-{[-2-(h...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@H]2CO)n1)C(=O)OCF | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603926
(Ethyl 2-ethyl-2-{[6-{[(1S,2S)-2-(fluoromethyl)cycl...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50601872
(CHEMBL5174733)Show SMILES [11CH3]Oc1ccc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ccnc2c1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072352
(CHEMBL3409318)Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15| Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603938
(3-Fluoropropyl 2-ethyl-2-{[6-{[(1S,2S)-2-(hydroxym...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603927
(Ethyl 2-ethyl-2-{[6-{[(1R,2S)-2-(fluoromethyl)cycl...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@@H]2CF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603938
(3-Fluoropropyl 2-ethyl-2-{[6-{[(1S,2S)-2-(hydroxym...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419188
(5-[Difluoro(phenyl)methyl]-7-(1,2,5-triazaspiro[2....)Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(nc(nc12)C(F)(F)c1ccccc1)N1CCC2(C1)N=N2 |c:39| Show InChI InChI=1S/C23H17F5N8/c24-22(25,15-7-2-1-3-8-15)20-29-18(35-11-10-21(13-35)32-33-21)17-19(30-20)36(34-31-17)12-14-6-4-5-9-16(14)23(26,27)28/h1-9H,10-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419309
(2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)tr...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3c(cccc3S(F)(=O)=O)C#C)c2n1 Show InChI InChI=1S/C21H21F3N6O2S/c1-5-13-7-6-8-15(33(24,31)32)14(13)11-30-18-16(27-28-30)17(25-19(26-18)20(2,3)4)29-10-9-21(22,23)12-29/h1,6-8H,9-12H2,2-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603952
(3-Fluoropropyl 2-ethyl-2-{[5-(3-fluoroazetidin-1-y...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)C2)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603947
(4-Fluorobutyl 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxyme...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603924
(Ethyl 2-ethyl-2-{[6-({(1S,2S)-2-[(fluoromethoxy)me...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2COCF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603930
(Ethyl 2-{[6-(cyclopropylmethoxy)-4-fluoro-5-(3-met...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1cc(F)c(N2CC(C2)OC)c(OCC2CC2)n1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50601864
(CHEMBL5171821) | PDB
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50601855
(CHEMBL5189391)Show SMILES COCC1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)[11C](=O)O1 | 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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50601854
(CHEMBL4117628)Show SMILES COC(=O)c1c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)sc2CCCCc12 |TLB:16:15:12:19.9.10,7:9:12:17.14.15,THB:14:13:10:17.15.18,14:15:12.13.19:10,18:15:12:19.9.10,18:9:12:17.14.15| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419190
(5-tert-Butyl-3-[(2-chlorophenyl)methyl]-7-(1,2,5-t...)Show SMILES CC(C)(C)c1nc(N2CCC3(C2)N=N3)c2nnn(Cc3ccccc3Cl)c2n1 |c:13| Show InChI InChI=1S/C19H21ClN8/c1-18(2,3)17-21-15(27-9-8-19(11-27)24-25-19)14-16(22-17)28(26-23-14)10-12-6-4-5-7-13(12)20/h4-7H,8-11H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603925
(Ethyl 2-ethyl-2-{[6-({(1S,2S)-2-[(2-fluoroethoxy)m...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2COCCF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419260
(5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)-3-({2...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3C3(N=N3)C(F)(F)F)c2n1 |c:28| Show InChI InChI=1S/C21H21F5N8/c1-18(2,3)17-27-15(33-9-8-19(22,23)11-33)14-16(28-17)34(32-29-14)10-12-6-4-5-7-13(12)20(30-31-20)21(24,25)26/h4-7H,8-11H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50506752
(CHEMBL4441693)Show SMILES CCCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC |TLB:9:11:14.13.18:16,THB:9:11:14:18.17.16,12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C21H29NO3S/c1-4-5-16-12(2)26-18(17(16)19(23)25-3)22-20(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-11H2,1-3H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603928
(Ethyl 2-ethyl-2-{[6-({(1R,2S)-2-[(fluoromethoxy)me...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@@H]2COCF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50397745
(CHEMBL2177161)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419306
(3-[2-[2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CCSSCC(O)CO)c2n1 Show InChI InChI=1S/C24H32F2N6O2S2/c1-23(2,3)22-27-20(31-10-9-24(25,26)15-31)19-21(28-22)32(30-29-19)12-17-7-5-4-6-16(17)8-11-35-36-14-18(34)13-33/h4-7,18,33-34H,8-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419261
(5-tert-Butyl-3-[(2-ethynylphenyl)methyl]-7-(1,2,5-...)Show SMILES CC(C)(C)c1nc(N2CCC3(C2)N=N3)c2nnn(Cc3ccccc3C#C)c2n1 |c:13| Show InChI InChI=1S/C21H22N8/c1-5-14-8-6-7-9-15(14)12-29-18-16(24-27-29)17(22-19(23-18)20(2,3)4)28-11-10-21(13-28)25-26-21/h1,6-9H,10-13H2,2-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419278
(2-{[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)-3...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3S(F)(=O)=O)c2n1 Show InChI InChI=1S/C19H21F3N6O2S/c1-18(2,3)17-23-15(27-9-8-19(20,21)11-27)14-16(24-17)28(26-25-14)10-12-6-4-5-7-13(12)31(22,29)30/h4-7H,8-11H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419300
(2-[2-[2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CCSSCCO)c2n1 Show InChI InChI=1S/C23H30F2N6OS2/c1-22(2,3)21-26-19(30-10-9-23(24,25)15-30)18-20(27-21)31(29-28-18)14-17-7-5-4-6-16(17)8-12-33-34-13-11-32/h4-7,32H,8-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50429823
(CHEMBL2338173)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044 BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090922
(CHEMBL3582012)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1 Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50601865
(CHEMBL5180946)Show SMILES CCOc1cc2ccc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN([11CH3])CC1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603933
((−)-trans-Ethyl 2-ethyl-2-{[6-({-2-[(fluorom...)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@H]2COCF)n1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419269
(5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)-3-[[2...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3c(cccc3C3(N=N3)C(F)(F)F)C#C)c2n1 |c:28| Show InChI InChI=1S/C23H21F5N8/c1-5-13-7-6-8-15(22(32-33-22)23(26,27)28)14(13)11-36-18-16(31-34-36)17(29-19(30-18)20(2,3)4)35-10-9-21(24,25)12-35/h1,6-8H,9-12H2,2-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419296
(2-[[2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-y...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CSSCCO)c2n1 Show InChI InChI=1S/C22H28F2N6OS2/c1-21(2,3)20-25-18(29-9-8-22(23,24)14-29)17-19(26-20)30(28-27-17)12-15-6-4-5-7-16(15)13-33-32-11-10-31/h4-7,31H,8-14H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50312837
(CHEMBL1081610 | [11C]8-butoxy-N-cyclohexyl-7-metho...)Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603934
((−)-trans-Fluoromethyl 2-ethyl-2-{[6-{[(1R,2...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@H]2CO)n1)C(=O)OCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419262
(3-[(2-Chlorophenyl)methyl]-5-[difluoro(phenyl)meth...)Show SMILES FC(F)(c1ccccc1)c1nc(N2CCC3(C2)N=N3)c2nnn(Cc3ccccc3Cl)c2n1 |c:19| Show InChI InChI=1S/C22H17ClF2N8/c23-16-9-5-4-6-14(16)12-33-19-17(28-31-33)18(32-11-10-21(13-32)29-30-21)26-20(27-19)22(24,25)15-7-2-1-3-8-15/h1-9H,10-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603951
(3-Fluoropropyl 2-ethyl-2-{[5-(3-fluoroazetidin-1-y...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)C2)c(OC[C@@H]2C[C@H]2CO)n1)C(=O)OCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419273
((2-{[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)-...)Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CS(F)(=O)=O)c2n1 Show InChI InChI=1S/C20H23F3N6O2S/c1-19(2,3)18-24-16(28-9-8-20(21,22)12-28)15-17(25-18)29(27-26-15)10-13-6-4-5-7-14(13)11-32(23,30)31/h4-7H,8-12H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme... |
US Patent US10457685 (2019)
BindingDB Entry DOI: 10.7270/Q2CV4M4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603937
((−)-trans-2-Fluoroethyl 2-ethyl-2-{[6-{[-2-(...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@H]2CO)n1)C(=O)OCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM603953
((Rac)-trans-3-fluoropropyl 2-ethyl-2-[[6-[[-2-(hyd...)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OS(=O)(=O)c2ccc(C)cc2)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K93CHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090956
(CHEMBL3582027)Show SMILES CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C26H37N3O5/c1-4-31-13-14-32-17-26(2,3)22-15-23(34-29-22)28-24(30)21-12-11-20(19-7-5-6-8-19)25(27-21)33-16-18-9-10-18/h11-12,15,18-19H,4-10,13-14,16-17H2,1-3H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM419270
((3S)-1-[5-tert-Butyl-3-[[2-ethynyl-6-[3-(trifluoro...)Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2nnn(Cc3c(cccc3C3(N=N3)C(F)(F)F)C#C)c2n1 |r,c:27| Show InChI InChI=1S/C23H23F3N8O/c1-5-13-7-6-8-16(22(30-31-22)23(24,25)26)15(13)12-34-19-17(29-32-34)18(33-10-9-14(35)11-33)27-20(28-19)21(2,3)4/h1,6-8,14,35H,9-12H2,2-4H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... |
US Patent US10457684 (2019)
BindingDB Entry DOI: 10.7270/Q2HM5BT8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090955
(CHEMBL3582026)Show SMILES COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this Ligand-Target Pair | |