Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'koike' 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 2 (Homo sapiens (Human))	BDBM50213889 (3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12 Show InChI InChI=1S/C21H28N2S3/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/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	0.200	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503606 (CHEMBL4462756) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26N2O5/c30-19-6-4-14-10-20-27(33)11-17-16-5-3-15(25(31)32)9-18(16)28-22(17)24-26(27,21(14)23(19)34-24)7-8-29(20)12-13-1-2-13/h3-6,9,13,20,24,28,30,33H,1-2,7-8,10-12H2,(H,31,32)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
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 (MOUSE)	BDBM50213889 (3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12 Show InChI InChI=1S/C21H28N2S3/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/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-	PDB Reactome pathway KEGG 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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					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))	BDBM50213881 (3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					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))	BDBM50256218 (CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...) Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12 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 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))	BDBM50213900 (3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12 Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/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	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50256315 (CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...) Show SMILES COc1ccccc1\N=C1/OCC2(CCCCC2)CN1C(=S)SC 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503604 (Naldemedine | S-297995) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(no1)-c1ccccc1)=C2O)ccc3O |r,c:43| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503597 (CHEMBL4534307) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(C)=O)=C2O)ccc3O |r,c:27,THB:10:9:17:4.5.6| Show InChI InChI=1S/C22H25NO5/c1-11(24)14-9-22(27)16-8-13-4-5-15(25)19-17(13)21(22,20(28-19)18(14)26)6-7-23(16)10-12-2-3-12/h4-5,12,16,20,25-27H,2-3,6-10H2,1H3/t16-,20+,21+,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					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 2 (Homo sapiens (Human))	BDBM50213891 (3-[(Z)-3-methoxy-phenylimino]-2-thia-4-aza-spiro[5...) Show SMILES COc1cccc(c1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-7-14(11-15)19-16-20(17(22)23-2)12-18(13-24-16)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3/b19-16-	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					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))	BDBM50213888 (8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...) Show SMILES CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C19H26N2S3/c1-14(2)15-8-4-5-9-16(15)20-17-21(18(22)23-3)12-19(13-24-17)10-6-7-11-19/h4-5,8-9,14H,6-7,10-13H2,1-3H3/b20-17-	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213883 (3-[(Z)-2,3-dimethyl-phenylimino]-2-thia-4-aza-spir...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(C)c1C Show InChI InChI=1S/C19H26N2S3/c1-14-8-7-9-16(15(14)2)20-17-21(18(22)23-3)12-19(13-24-17)10-5-4-6-11-19/h7-9H,4-6,10-13H2,1-3H3/b20-17-	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503611 (CHEMBL4468216) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503601 (CHEMBL4529950) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccc1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,20,24,30-31,33H,6-7,10-14H2,(H,28,32)/t20-,24+,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					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 2 (Homo sapiens (Human))	BDBM50256431 (CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...) Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2CCCCc12 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))	BDBM50213893 (3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12 Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503604 (Naldemedine | S-297995) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(no1)-c1ccccc1)=C2O)ccc3O |r,c:43| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213885 (3-[(Z)-2-trifluoromethyl-phenylimino]-2-thia-4-aza...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(F)(F)F Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-5-2-6-10-17)12-26-15(23)22-14-8-4-3-7-13(14)18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503596 (CHEMBL4561876) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NCc1ccccc1)=C2O)ccc3O |r,c:35,THB:10:9:17:4.5.6| Show InChI InChI=1S/C28H30N2O5/c31-20-9-8-18-12-21-28(34)13-19(26(33)29-14-16-4-2-1-3-5-16)23(32)25-27(28,22(18)24(20)35-25)10-11-30(21)15-17-6-7-17/h1-5,8-9,17,21,25,31-32,34H,6-7,10-15H2,(H,29,33)/t21-,25+,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213899 (3-[(Z)-2-methoxy-phenylimino]-2-thia-4-aza-spiro[5...) Show SMILES COc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C18H24N2OS3/c1-21-15-9-5-4-8-14(15)19-16-20(17(22)23-2)12-18(13-24-16)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	1.10	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213904 (3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...) Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/b20-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50213881 (3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 mouse CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503599 (CHEMBL4439770) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)n[nH]c21)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C22H25N3O3/c1-11-14-9-22(27)16-8-13-4-5-15(26)19-17(13)21(22,20(28-19)18(14)24-23-11)6-7-25(16)10-12-2-3-12/h4-5,12,16,20,26-27H,2-3,6-10H2,1H3,(H,23,24)/t16-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213884 (3-[(Z)-benzo[1,2,5]thiadiazol-4-ylimino]-2-thia-4-...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nsnc12 Show InChI InChI=1S/C17H20N4S4/c1-23-16(22)21-10-17(8-3-2-4-9-17)11-24-15(21)18-12-6-5-7-13-14(12)20-25-19-13/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	1.30	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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503598 (CHEMBL4551066) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)CC)=C2O)ccc3O |r,c:28,THB:10:9:17:4.5.6| Show InChI InChI=1S/C23H27NO5/c1-2-15(25)14-10-23(28)17-9-13-5-6-16(26)20-18(13)22(23,21(29-20)19(14)27)7-8-24(17)11-12-3-4-12/h5-6,12,17,21,26-28H,2-4,7-11H2,1H3/t17-,21+,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50256219 (CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...) Show SMILES CSC(=O)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM102406 (US8536192, I-135) Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18| Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503600 (CHEMBL4542825) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)C)=C2O)ccc3O |r,c:30,THB:10:9:17:4.5.6| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503610 (CHEMBL4516674) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)nc(N)nc21)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C23H26N4O3/c1-11-14-9-23(29)16-8-13-4-5-15(28)19-17(13)22(23,6-7-27(16)10-12-2-3-12)20(30-19)18(14)26-21(24)25-11/h4-5,12,16,20,28-29H,2-3,6-10H2,1H3,(H2,24,25,26)/t16-,20+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213887 (3-[(Z)-4-cyano-phenylimino]-2-thia-4-aza-spiro[5.5...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C#N Show InChI InChI=1S/C18H21N3S3/c1-23-17(22)21-12-18(9-3-2-4-10-18)13-24-16(21)20-15-7-5-14(11-19)6-8-15/h5-8H,2-4,9-10,12-13H2,1H3/b20-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503594 (CHEMBL4574150) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccc4cc[nH]c4c1)=C2O)ccc3O |r,c:38,THB:10:9:17:4.5.6| Show InChI InChI=1S/C29H29N3O5/c33-21-6-4-17-11-22-29(36)13-19(27(35)31-18-5-3-16-7-9-30-20(16)12-18)24(34)26-28(29,23(17)25(21)37-26)8-10-32(22)14-15-1-2-15/h3-7,9,12,15,22,26,30,33-34,36H,1-2,8,10-11,13-14H2,(H,31,35)/t22-,26+,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50213897 (3-[(Z)-3-isopropyl-phenylimino]-2-thia-4-aza-spiro...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(c1)C(C)C Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-8-7-9-17(12-16)21-18-22(19(23)24-3)13-20(14-25-18)10-5-4-6-11-20/h7-9,12,15H,4-6,10-11,13-14H2,1-3H3/b21-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	3.30	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 CB2 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503600 (CHEMBL4542825) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)C)=C2O)ccc3O |r,c:30,THB:10:9:17:4.5.6| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					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))	BDBM50213901 (3-[(Z)-4-methoxy-phenylimino]-2-thia-4-aza-spiro[5...) Show SMILES COc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-14(7-9-15)19-16-20(17(22)23-2)12-18(13-24-16)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3/b19-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503607 (CHEMBL4452187) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)N1CCCC1)=C2O)ccc3O |r,c:32,THB:10:9:17:4.5.6| Show InChI InChI=1S/C25H30N2O5/c28-17-6-5-15-11-18-25(31)12-16(23(30)26-8-1-2-9-26)20(29)22-24(25,19(15)21(17)32-22)7-10-27(18)13-14-3-4-14/h5-6,14,18,22,28-29,31H,1-4,7-13H2/t18-,22+,24+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503612 (CHEMBL4459343) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair

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