Found 289 hits with Last Name = 'tani' and Initial = 'n' 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 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 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 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)) | 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)) | 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)) | 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 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)) | 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)) | 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)) | 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18656
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
| Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a... |
J Med Chem 49: 716-26 (2006)
Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952 |
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
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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
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UniChem
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| 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
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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
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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
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| 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18656
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
Similars
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PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
| Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a... |
J Med Chem 49: 716-26 (2006)
Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952 |
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
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| 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
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| 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
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| 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
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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
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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 | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50342656
(CHEMBL1770735 | benzo[b]thiophen-2-ylmethanamine)Show InChI InChI=1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
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
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| 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
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| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
| Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a... |
J Med Chem 49: 716-26 (2006)
Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
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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)) | 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
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| 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
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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 | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50170965
(17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacy...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CCC35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18?/m1/s1 | PDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Life Sci 64: 2011-20 (1999)
Article DOI: 10.1016/s0024-3205(99)00148-4
BindingDB Entry DOI: 10.7270/Q25719K9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
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Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
| Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a... |
J Med Chem 49: 716-26 (2006)
Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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| 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 | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037776
(CHEMBL3358193)Show InChI InChI=1S/C8H5NOS/c10-5-7-3-6-1-2-9-4-8(6)11-7/h1-5H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037778
(CHEMBL3358192)Show InChI InChI=1S/C8H5NOS/c10-5-7-3-6-4-9-2-1-8(6)11-7/h1-5H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037782
(CHEMBL3358223)Show InChI InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037779
(CHEMBL3358215)Show InChI InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
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 | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037774
(CHEMBL3358194)Show InChI InChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037780
(CHEMBL3358216)Show InChI InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
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 | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50037716
(CHEMBL3358202)Show InChI InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description
Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescenc... |
Bioorg Med Chem 22: 6655-64 (2015)
Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8 |
More data for this
Ligand-Target Pair | |
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