Compile Data Set for Download or QSAR

Found 2355 hits with Last Name = 'peddi' and Initial = 's'   

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 (MOUSE)	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50532777 (CHEMBL4470925) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50532777 (CHEMBL4470925) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139889 (US8895592, 19) Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity to mouse CB2 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity to mouse CB2 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r| Show InChI InChI=1S/C23H34O5/c1-6-7-10-27-21(26)22(2,3)14-11-18(25)20-16-13-15(24)8-9-17(16)23(4,5)28-19(20)12-14/h11-12,15-17,24-25H,6-10,13H2,1-5H3/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463775 (CHEMBL4240671) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4| Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135877 (US8859596, 164) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC(F)(F)F)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F6N4O2S/c1-19(2,3)17-30-32(11-7-10-21(23,24)25)18(35-17)29-16(33)14-12-13(22(26,27)28)8-9-15(14)34-31-20(4,5)6/h8-9,12,31H,7,10-11H2,1-6H3/b29-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133287 (US8846730, 40) Show SMILES CC(C)(C)OC(=O)NNc1ccc(cc1C(=O)\N=c1\sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O4S/c1-23(2,3)19-14-32(13-16-8-7-11-35-16)21(37-19)29-20(33)17-12-15(25(26,27)28)9-10-18(17)30-31-22(34)36-24(4,5)6/h9-10,12,14,16,30H,7-8,11,13H2,1-6H3,(H,31,34)/b29-21+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133276 (US8846730, 23) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133307 (US8846730, 72) Show SMILES CC(C)(C)C(=O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C26H33F3N2O4S/c1-24(2,3)20(32)15-35-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-31(13-17-8-7-11-34-17)14-21(36-23)25(4,5)6/h9-10,12,14,17H,7-8,11,13,15H2,1-6H3/b30-23-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133313 (US8846730, 79) Show SMILES CC(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O3S/c1-14(2)28-32-18-9-8-15(23(24,25)26)11-17(18)20(30)27-21-29(12-16-7-6-10-31-16)13-19(33-21)22(3,4)5/h8-9,11,13-14,16,28H,6-7,10,12H2,1-5H3/b27-21-/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135855 (US8859596, 141) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ONC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O4S/c1-8-9-12-30-19(35-18(28-30)21(2,3)4)27-17(31)15-13-14(23(24,25)26)10-11-16(15)34-29-20(32)33-22(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135909 (US8859596, 198) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133287 (US8846730, 40) Show SMILES CC(C)(C)OC(=O)NNc1ccc(cc1C(=O)\N=c1\sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O4S/c1-23(2,3)19-14-32(13-16-8-7-11-35-16)21(37-19)29-20(33)17-12-15(25(26,27)28)9-10-18(17)30-31-22(34)36-24(4,5)6/h9-10,12,14,16,30H,7-8,11,13H2,1-6H3,(H,31,34)/b29-21+/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133275 (US8846730, 22) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133316 (US8846730, 83) Show SMILES CC(C)(C)c1cn(CC2CCCO2)\c(=N\C(=O)c2cc(ccc2ON=C2CCCC2)C(F)(F)F)s1 |(-5.42,15.18,;-6.33,13.94,;-5.08,13.03,;-7.57,14.84,;-7.23,12.69,;-8.77,12.69,;-9.25,11.23,;-10.71,10.75,;-11.86,11.78,;-13.36,11.46,;-14.13,12.79,;-13.1,13.94,;-11.7,13.31,;-8,10.32,;-8,8.78,;-6.67,8.01,;-5.33,8.78,;-6.67,6.47,;-8,5.7,;-8,4.16,;-6.67,3.39,;-5.33,4.16,;-5.33,5.7,;-4,6.47,;-2.67,5.7,;-2.67,4.16,;-1.42,3.25,;-1.9,1.79,;-3.44,1.79,;-3.91,3.25,;-9.34,3.39,;-10.67,2.62,;-10.11,4.72,;-8.57,2.06,;-6.76,11.23,)| Show InChI InChI=1S/C25H30F3N3O3S/c1-24(2,3)21-15-31(14-18-9-6-12-33-18)23(35-21)29-22(32)19-13-16(25(26,27)28)10-11-20(19)34-30-17-7-4-5-8-17/h10-11,13,15,18H,4-9,12,14H2,1-3H3/b29-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133315 (US8846730, 81) Show SMILES C[C@@H](O)COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H29F3N2O4S/c1-14(29)13-32-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-28(11-16-6-5-9-31-16)12-19(33-21)22(2,3)4/h7-8,10,12,14,16,29H,5-6,9,11,13H2,1-4H3/b27-21-/t14-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133313 (US8846730, 79) Show SMILES CC(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O3S/c1-14(2)28-32-18-9-8-15(23(24,25)26)11-17(18)20(30)27-21-29(12-16-7-6-10-31-16)13-19(33-21)22(3,4)5/h8-9,11,13-14,16,28H,6-7,10,12H2,1-5H3/b27-21-/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM133308 (US8846730, 73) Show SMILES CC(COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=NO |w:32.35| Show InChI InChI=1S/C23H28F3N3O4S/c1-14(28-31)13-33-18-8-7-15(23(24,25)26)10-17(18)20(30)27-21-29(11-16-6-5-9-32-16)12-19(34-21)22(2,3)4/h7-8,10,12,16,31H,5-6,9,11,13H2,1-4H3/b27-21-,28-14+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463775 (CHEMBL4240671) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4| Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9807 (US8846730, 50) Show SMILES CC(C)(O)CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H33F3N2O4S/c1-23(2,3)20-15-30(14-17-7-6-11-33-17)22(35-20)29-21(31)18-13-16(25(26,27)28)8-9-19(18)34-12-10-24(4,5)32/h8-9,13,15,17,32H,6-7,10-12,14H2,1-5H3/b29-22-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463785 (CHEMBL4238778) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4| Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM133276 (US8846730, 23) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCO2)C(F)(F)F)s1 Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM9651 (US8846730, 4) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1 Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)31-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-4-5-11-30-18/h9-10,13,15,18-19,30H,4-8,11-12,14,16H2,1-3H3/b31-24-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50532780 (CHEMBL4475022 | US10882838, Example 2.2) Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:5| Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135857 (US8859596, 144) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135875 (US8859596, 162) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(Cl)ccc1ONC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C21H31ClN4O2S/c1-8-9-12-26-19(29-18(24-26)20(2,3)4)23-17(27)15-13-14(22)10-11-16(15)28-25-21(5,6)7/h10-11,13,25H,8-9,12H2,1-7H3/b23-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50532780 (CHEMBL4475022 | US10882838, Example 2.2) Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:5| Show InChI InChI=1S/C24H34O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h8,12-13,17-18,25-26H,6-7,9-11,14H2,1-5H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM9651 (US8846730, 4) Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1 Show InChI InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-8-6-12-34-19)24(36-22)31-23(33)20-13-17(26(27,28)29)9-10-21(20)35-16-18-7-4-5-11-30-18/h9-10,13,15,18-19,30H,4-8,11-12,14,16H2,1-3H3/b31-24-/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8846730 (2014) BindingDB Entry DOI: 10.7270/Q2028Q6Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity to rat CB1 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity to rat CB1 receptor				J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463776 (CHEMBL4246445) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCOCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O4/c1-16-5-6-20-19(13-16)23-21(27)14-18(15-22(23)30-24(20,3)4)17(2)25-29-12-9-26-7-10-28-11-8-26/h5,14-15,19-20,27H,6-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135908 (US8859596, 197) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair

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