Found 144 hits with Last Name = 'toda' and Initial = 'y' 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 |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098965
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098965
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098971
(3-({3-Benzyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-...)Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1Cc1ccccc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H23N5O4S/c1-14-19(22(32)26-12-11-18(29)30)33-23(28(14)13-15-5-3-2-4-6-15)27-21(31)17-9-7-16(8-10-17)20(24)25/h2-10H,11-13H2,1H3,(H3,24,25)(H,26,32)(H,29,30)/b27-23- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098967
(3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-ethyl-4...)Show SMILES CCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C18H21N5O4S/c1-3-23-10(2)14(17(27)21-9-8-13(24)25)28-18(23)22-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,3,8-9H2,1-2H3,(H3,19,20)(H,21,27)(H,24,25)/b22-18- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of immobilized HUVEC adhesion on fibronectin |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098964
(3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...)Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098966
(3-[3-(4-Carbamimidoyl-benzoylamino)-phenyl]-propio...)Show InChI InChI=1S/C17H17N3O3/c18-16(19)12-5-7-13(8-6-12)17(23)20-14-3-1-2-11(10-14)4-9-15(21)22/h1-3,5-8,10H,4,9H2,(H3,18,19)(H,20,23)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP (2 microM) induced platelet aggregation of human platelet rich plasma |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098969
(3-[2-(4-Carbamimidoyl-benzoylamino)-4-methyl-thiaz...)Show InChI InChI=1S/C15H16N4O3S/c1-8-11(6-7-12(20)21)23-15(18-8)19-14(22)10-4-2-9(3-5-10)13(16)17/h2-5H,6-7H2,1H3,(H3,16,17)(H,20,21)(H,18,19,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP (3 microM)induced platelet aggregation of guinea pig platelet rich plasma |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098968
(3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...)Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of immobilized HUVEC adhesion on fibrinogen |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098972
(3-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-4-me...)Show SMILES CN(C(=O)c1ccc(cc1)C(N)=N)c1nc(C)c(CCC(O)=O)s1 Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(19-9)20(2)15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
More data for this Ligand-Target Pair | |
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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
(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 | |
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 UniProtKB/TrEMBL
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 | |
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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 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)) | 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 UniProtKB/TrEMBL
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 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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 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)) | 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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 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)) | 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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 | |
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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 | |
Galanin receptor type 1
(RAT) | BDBM50256665
((3S,6S,9S,12S)-3-benzyl-9,12-di-sec-butyl-6-((2S,3...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@H](C)[C@@H](C)O |r| Show InChI InChI=1S/C27H42N4O5/c1-7-15(3)21-25(34)30-22(16(4)8-2)26(35)31-23(17(5)18(6)32)27(36)28-20(24(33)29-21)14-19-12-10-9-11-13-19/h9-13,15-18,20-23,32H,7-8,14H2,1-6H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)/t15-,16-,17+,18+,20-,21-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells |
Bioorg Med Chem Lett 18: 6321-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.104 BindingDB Entry DOI: 10.7270/Q2BZ65WC |
More data for this Ligand-Target Pair | |
Galanin receptor type 1
(RAT) | BDBM50149871
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O |r| Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells |
Bioorg Med Chem Lett 18: 6321-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.104 BindingDB Entry DOI: 10.7270/Q2BZ65WC |
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
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| 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 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)) | 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 UniProtKB/TrEMBL
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 | |
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
UniProtKB/SwissProt UniProtKB/TrEMBL
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 | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098970
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-methyl-6...)Show SMILES Cn1c2CN(CCC(O)=O)C(=O)c2s\c1=N/C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H17N5O4S/c1-21-11-8-22(7-6-12(23)24)16(26)13(11)27-17(21)20-15(25)10-4-2-9(3-5-10)14(18)19/h2-5H,6-8H2,1H3,(H3,18,19)(H,23,24)/b20-17- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
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 UniProtKB/TrEMBL
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 | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098964
(3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...)Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 | |
Galanin receptor type 1
(RAT) | BDBM50256666
((3S,6S,9S,12S)-3-benzyl-12-sec-butyl-6-((2S,3R)-3-...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@H](C)[C@@H](C)O |r| Show InChI InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)28-20(14(2)3)24(33)30-22(16(5)17(6)31)26(35)27-19(23(32)29-21)13-18-11-9-8-10-12-18/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,34)(H,29,32)(H,30,33)/t15-,16+,17+,19-,20-,21-,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells |
Bioorg Med Chem Lett 18: 6321-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.104 BindingDB Entry DOI: 10.7270/Q2BZ65WC |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098965
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
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 UniProtKB/TrEMBL
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 | |
Galanin receptor type 1
(RAT) | BDBM50256705
((3S,6S,9S,12S)-3-benzyl-6-((2S,3R)-3-hydroxybutan-...)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@H](C)[C@@H](C)O |r| Show InChI InChI=1S/C25H38N4O5/c1-13(2)19-23(32)28-20(14(3)4)24(33)29-21(15(5)16(6)30)25(34)26-18(22(31)27-19)12-17-10-8-7-9-11-17/h7-11,13-16,18-21,30H,12H2,1-6H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t15-,16-,18+,19+,20+,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells |
Bioorg Med Chem Lett 18: 6321-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.104 BindingDB Entry DOI: 10.7270/Q2BZ65WC |
More data for this Ligand-Target Pair | |
Galanin receptor type 1
(RAT) | BDBM50256704
((3S,6S,9S,12S)-3-benzyl-9-sec-butyl-6-((2S,3R)-3-h...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)[C@H](C)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)30-22(16(5)17(6)31)26(35)27-19(13-18-11-9-8-10-12-18)23(32)28-20(14(2)3)24(33)29-21/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,32)(H,29,33)(H,30,34)/t15-,16+,17+,19-,20-,21-,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells |
Bioorg Med Chem Lett 18: 6321-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.104 BindingDB Entry DOI: 10.7270/Q2BZ65WC |
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 UniProtKB/TrEMBL
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 | |
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 UniProtKB/TrEMBL
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)) | BDBM50218270
((Z)-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methyl...)Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc3ccccc23)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C22H26N2O2S2/c1-15-20(22(2,3)4)27-21(24(15)14-16-12-13-16)23-28(25,26)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-14H2,1-4H3/b23-21- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | 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-55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5133-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.005 BindingDB Entry DOI: 10.7270/Q27944C0 |
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 UniProtKB/TrEMBL
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 | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098965
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA |
Bioorg Med Chem Lett 11: 1031-5 (2001)
BindingDB Entry DOI: 10.7270/Q29G5M2G |
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 UniProtKB/TrEMBL
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 UniProtKB/TrEMBL
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 | |