Found 12 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50133546
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50248606
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50248603
((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...)Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50248604
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50248605
((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...)Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50133546
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50248604
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50248606
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 93.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50248605
((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...)Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50248603
((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...)Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this Ligand-Target Pair | |