Found 169 hits with Last Name = 'okamoto' and Initial = 'k' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
UniProtKB/SwissProt
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 |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mouse CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256378
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256218
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256315
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256318
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256317
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256431
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256319
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1 Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256318
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256317
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256319
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1 Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256219
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256380
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256433
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12 Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256381
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256377
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256430
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12 Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256378
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256432
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12 Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256220
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213886
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256430
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12 Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50213886
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mouse CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256316
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256380
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256218
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256222
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256381
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256431
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256377
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256220
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256219
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256315
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256432
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12 Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256433
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12 Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256316
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256221
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14| Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256222
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 515 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256221
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14| Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058752
(CHEMBL3335630)Show SMILES COCCOCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:32:33:36:40.38.39,38:37:34:40.39.41,38:39:36.37.42:34,41:39:36:42.33.34,41:33:36:40.38.39| Show InChI InChI=1S/C41H50N4O3/c1-30-26-44(27-33-7-12-39(42-25-33)29-48-18-17-47-2)15-16-45(30)28-32-3-8-37(9-4-32)40(46)43-38-10-5-31(6-11-38)13-14-41-22-34-19-35(23-41)21-36(20-34)24-41/h3-12,25,30,34-36H,15-24,26-29H2,1-2H3,(H,43,46)/t30-,34?,35?,36?,41?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058757
(CHEMBL3335423)Show SMILES O=C(Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 |THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C36H40N4O/c41-35(33-7-3-28(4-8-33)25-39-14-16-40(17-15-39)26-29-2-1-13-37-24-29)38-34-9-5-27(6-10-34)11-12-36-21-30-18-31(22-36)20-32(19-30)23-36/h1-10,13,24,30-32H,14-23,25-26H2,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058753
(CHEMBL3335427)Show SMILES COCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1 |r,THB:29:30:33:37.35.36,35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36| Show InChI InChI=1S/C39H46N4O2/c1-28-24-42(25-31-7-12-37(27-45-2)40-23-31)15-16-43(28)26-30-3-8-35(9-4-30)38(44)41-36-10-5-29(6-11-36)13-14-39-20-32-17-33(21-39)19-34(18-32)22-39/h3-12,23,28,32-34H,15-22,24-27H2,1-2H3,(H,41,44)/t28-,32?,33?,34?,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058754
(CHEMBL3335426)Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2 |r,THB:31:32:35:39.37.38,37:36:33:39.38.40,37:38:35.36.41:33,40:38:35:41.32.33,40:32:35:39.37.38| Show InChI InChI=1S/C37H42N4O/c1-27-24-40(25-30-3-2-14-38-23-30)15-16-41(27)26-29-4-8-34(9-5-29)36(42)39-35-10-6-28(7-11-35)12-13-37-20-31-17-32(21-37)19-33(18-31)22-37/h2-11,14,23,27,31-33H,15-22,24-26H2,1H3,(H,39,42)/t27-,31?,32?,33?,37?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia 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 |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058760
(CHEMBL3335421)Show SMILES O=C(Nc1ccc(cc1)C#CC1CCCCC1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 Show InChI InChI=1S/C32H36N4O/c37-32(34-31-16-12-27(13-17-31)9-8-26-5-2-1-3-6-26)30-14-10-28(11-15-30)24-35-19-21-36(22-20-35)25-29-7-4-18-33-23-29/h4,7,10-18,23,26H,1-3,5-6,19-22,24-25H2,(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058766
(CHEMBL3335415)Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N4O/c1-19-16-32(17-21-3-2-12-30-15-21)13-14-33(19)18-20-4-6-22(7-5-20)25(34)31-24-10-8-23(9-11-24)26(27,28)29/h2-12,15,19H,13-14,16-18H2,1H3,(H,31,34)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50056538
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibitory activity against rat lens aldose reductase(AR). |
J Med Chem 40: 684-94 (1997)
Article DOI: 10.1021/jm960594+ BindingDB Entry DOI: 10.7270/Q2251H84 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058755
(CHEMBL3335425)Show SMILES Nc1ncccc1C(=O)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(cc2)C#CC23CC4CC(CC(C4)C2)C3)CC1 |THB:30:31:34:38.36.37,36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37| Show InChI InChI=1S/C36H39N5O2/c37-33-32(2-1-13-38-33)35(43)41-16-14-40(15-17-41)24-26-3-7-30(8-4-26)34(42)39-31-9-5-25(6-10-31)11-12-36-21-27-18-28(22-36)20-29(19-27)23-36/h1-10,13,27-29H,14-24H2,(H2,37,38)(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha
(Homo sapiens (Human)) | BDBM50058770
(CHEMBL3335411)Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1 Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)22-5-7-23(8-6-22)30-24(33)21-3-1-19(2-4-21)17-31-13-15-32(16-14-31)18-20-9-11-29-12-10-20/h1-12H,13-18H2,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay |
Bioorg Med Chem 22: 5513-29 (2014)
Article DOI: 10.1016/j.bmc.2014.07.020 BindingDB Entry DOI: 10.7270/Q24J0GSG |
More data for this Ligand-Target Pair | |