Found 134 hits with Last Name = 'iida' and Initial = 'i' 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)) | BDBM50222831
(CHEMBL401132 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-8-9-12)25-17(27)13-6-5-7-14(15(13)21)20(22,23)24/h5-7,12H,8-10H2,1-4H3/b25-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222845
(CHEMBL247830 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2ccccc2C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-9-10-13)24-17(26)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21311
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375384
(CHEMBL263913)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222834
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222841
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315427
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(methylsulfanyl)...)Show SMILES CSc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO4S2/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315431
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methylbenzyl)phe...)Show SMILES Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315423
((1S)-1,5-Anhydro-1-[4-chloro-5-(4-ethylbenzyl)-2-m...)Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1 |r| Show InChI InChI=1S/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315425
((1S)-1,5-Anhydro-1-[5-(4-ethylbenzyl)-2-methoxy-4-...)Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r| Show InChI InChI=1S/C23H30O5S/c1-4-14-5-7-15(8-6-14)10-16-11-17(18(28-3)9-13(16)2)23-22(27)21(26)20(25)19(12-24)29-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375385
(CHEMBL264154)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315432
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methoxybenzyl)ph...)Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO5S/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315436
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phe...)Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25ClO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315430
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)phen...)Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25ClO4S/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222832
(CHEMBL248386 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(sc(=NC(=O)c2cc(ccc2C)C(F)(F)F)n1CC1CC1)C(C)(C)C |w:5.5| Show InChI InChI=1S/C21H25F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14H,7-8,11H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
NCI pathway
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222833
(CHEMBL555610 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cc(ccc2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-5-6-12)25-17(27)14-9-13(20(22,23)24)7-8-15(14)21/h7-9,12H,5-6,10H2,1-4H3/b25-18- | PDB
Reactome pathway
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222844
(CHEMBL248015 | N-(5-tert-butyl-3-(2-ethoxyethyl)-4...)Show SMILES CCOCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F3N2O2S/c1-6-27-11-10-25-13(2)16(19(3,4)5)28-18(25)24-17(26)14-8-7-9-15(12-14)20(21,22)23/h7-9,12H,6,10-11H2,1-5H3/b24-18- | PDB
Reactome pathway
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PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315426
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r| Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315418
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methylphe...)Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O5S/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375383
(CHEMBL440407)Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+ | PDB
Reactome pathway
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315424
((1S)-1,5-Anhydro-1-[2-methoxy-4-methyl-5-[4-(propa...)Show SMILES COc1cc(C)c(Cc2ccc(cc2)C(C)C)cc1[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H32O5S/c1-13(2)16-7-5-15(6-8-16)10-17-11-18(19(29-4)9-14(17)3)24-23(28)22(27)21(26)20(12-25)30-24/h5-9,11,13,20-28H,10,12H2,1-4H3/t20-,21-,22+,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222837
(CHEMBL248385 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H22F4N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-5-6-12)25-17(27)14-9-13(20(22,23)24)7-8-15(14)21/h7-9,12H,5-6,10H2,1-4H3/b25-18- | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
Reactome pathway
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375392
(CHEMBL410243)Show SMILES CCOCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F4N3O2/c1-6-29-11-10-27-16(12-15(26(27)5)19(2,3)4)25-18(28)13-8-7-9-14(17(13)21)20(22,23)24/h7-9,12H,6,10-11H2,1-5H3/b25-16+ | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375387
(CHEMBL261031)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23ClF3N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315429
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(propan-2-yl)ben...)Show SMILES CC(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H27ClO4S/c1-12(2)14-5-3-13(4-6-14)9-16-10-15(7-8-17(16)23)22-21(27)20(26)19(25)18(11-24)28-22/h3-8,10,12,18-22,24-27H,9,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222836
(CHEMBL247651 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(OC(F)(F)F)c2)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2O2S/c1-12-16(19(2,3)4)28-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)27-20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315419
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-fluorophe...)Show SMILES CCOc1ccc(Cc2cc(ccc2F)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25FO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222835
(CHEMBL248387 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES CN(C)c1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F3N3OS/c1-13-18(21(2,3)4)30-20(28(13)12-14-7-8-14)26-19(29)16-11-15(22(23,24)25)9-10-17(16)27(5)6/h9-11,14H,7-8,12H2,1-6H3/b26-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375390
(CHEMBL257224)Show SMILES CC(C)(C)c1c\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n(CC2CC2)s1 Show InChI InChI=1S/C19H21F3N2OS/c1-18(2,3)15-10-16(24(26-15)11-12-7-8-12)23-17(25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-10,12H,7-8,11H2,1-3H3/b23-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222830
(CHEMBL248014 | N-(5-tert-butyl-3-(2-methoxyethyl)-...)Show SMILES COCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C19H23F3N2O2S/c1-12-15(18(2,3)4)27-17(24(12)9-10-26-5)23-16(25)13-7-6-8-14(11-13)19(20,21)22/h6-8,11H,9-10H2,1-5H3/b23-17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375381
(CHEMBL272754)Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N=c1cc(n(C)n1CC1CC1)C(C)(C)C |w:13.13| Show InChI InChI=1S/C21H26F3N3O/c1-13-15(7-6-8-16(13)21(22,23)24)19(28)25-18-11-17(20(2,3)4)26(5)27(18)12-14-9-10-14/h6-8,11,14H,9-10,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315433
((1S)-1,5-Anhydro-1-[2,4-dimethoxy-5-(4-ethoxybenzy...)Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1 |r| Show InChI InChI=1S/C23H30O7S/c1-4-30-15-7-5-13(6-8-15)9-14-10-16(18(29-3)11-17(14)28-2)23-22(27)21(26)20(25)19(12-24)31-23/h5-8,10-11,19-27H,4,9,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315420
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methoxyph...)Show SMILES CCOc1ccc(Cc2cc(ccc2OC)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O6S/c1-3-28-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)27-2)22-21(26)20(25)19(24)18(12-23)29-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222843
(CHEMBL398666 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222843
(CHEMBL398666 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315435
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222829
(CHEMBL395216 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES CN(C)c1cccc(c1)C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C21H29N3OS/c1-14-18(21(2,3)4)26-20(24(14)13-15-10-11-15)22-19(25)16-8-7-9-17(12-16)23(5)6/h7-9,12,15H,10-11,13H2,1-6H3/b22-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315428
((1S)-1,5-Anhydro-1-[3-(4-tert-butylbenzyl)-4-chlor...)Show SMILES CC(C)(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H29ClO4S/c1-23(2,3)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)24)22-21(28)20(27)19(26)18(12-25)29-22/h4-9,11,18-22,25-28H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake |
J Med Chem 53: 3247-61 (2010)
Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50222831
(CHEMBL401132 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-8-9-12)25-17(27)13-6-5-7-14(15(13)21)20(22,23)24/h5-7,12H,8-10H2,1-4H3/b25-18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222842
(CHEMBL247817 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Cl)c2)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C19H23ClN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222847
(CHEMBL397857 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(C)c2)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H26N2OS/c1-13-7-6-8-16(11-13)18(23)21-19-22(12-15-9-10-15)14(2)17(24-19)20(3,4)5/h6-8,11,15H,9-10,12H2,1-5H3/b21-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375393
(CHEMBL402938)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222849
(CHEMBL247997 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES COc1cccc(c1)C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H26N2O2S/c1-13-17(20(2,3)4)25-19(22(13)12-14-9-10-14)21-18(23)15-7-6-8-16(11-15)24-5/h6-8,11,14H,9-10,12H2,1-5H3/b21-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 6299-304 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ |
More data for this
Ligand-Target Pair | |
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