Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'douglas' and Initial = 'jt'   

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))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374634 (CHEMBL258098) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374645 (CHEMBL272939) Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496725 (CHEMBL3219933) Show SMILES [H][C@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496728 (CHEMBL3219937) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14-,16+,17+,18+,19+,21+,24+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239075 (US9416103, JWH-073-M4) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12 Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50491525 (CHEMBL2380408) Show SMILES CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50491525 (CHEMBL2380408) Show SMILES CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159172 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Formyloxy-3-furan-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10-11,13-16,18H,4,6,8-9H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50374645 (CHEMBL272939) Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496723 (CHEMBL3219943) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OCOC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H37NO8/c1-24-9-8-15-23(30)34-18(21(28)26-10-6-5-7-11-26)13-25(15,2)20(24)19(27)17(33-14-31-3)12-16(24)22(29)32-4/h15-18,20H,5-14H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343253 (CHEMBL1773748 | Dimethyl 5-((2S,4aR,6aR,7R,9S,10aS...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C(C(=O)OC)=C2C(=O)OC |r,c:39,t:29,TLB:32:31:26.27:29,THB:37:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H34O12/c1-12(30)39-17-10-15(24(32)36-4)28(2)8-7-14-25(33)41-18(11-29(14,3)23(28)21(17)31)13-9-16-19(26(34)37-5)20(22(13)40-16)27(35)38-6/h9,14-18,22-23H,7-8,10-11H2,1-6H3/t14-,15-,16?,17-,18-,22?,23-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496722 (CHEMBL3219935) Show SMILES [H][C@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-24-8-6-15-23(28)33-18(14-7-10-30-13-14)12-25(15,2)21(24)20(26)17(11-16(24)22(27)29-3)32-19-5-4-9-31-19/h7,10,13,15-19,21H,4-6,8-9,11-12H2,1-3H3/t15-,16-,17-,18-,19+,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239075 (US9416103, JWH-073-M4) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12 Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496720 (CHEMBL3219936) Show SMILES [H][C@@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-24-8-6-15-23(28)33-18(14-7-10-30-13-14)12-25(15,2)21(24)20(26)17(11-16(24)22(27)29-3)32-19-5-4-9-31-19/h7,10,13,15-19,21H,4-6,8-9,11-12H2,1-3H3/t15-,16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343252 (CHEMBL1773747 | Diethyl 5-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)C1=C(C2OC1C=C2[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1)C(=O)OCC |r,c:11,t:5,TLB:3:5:11.10:8,12:11:8:5.6,THB:38:6:11.10:8| Show InChI InChI=1S/C31H38O12/c1-7-39-28(36)21-18-11-15(24(42-18)22(21)29(37)40-8-2)20-13-31(5)16(27(35)43-20)9-10-30(4)17(26(34)38-6)12-19(41-14(3)32)23(33)25(30)31/h11,16-20,24-25H,7-10,12-13H2,1-6H3/t16-,17-,18?,19-,20-,24?,25-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496731 (CHEMBL3219944) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H35NO8/c1-14(27)33-17-12-16(22(30)32-4)24(2)9-8-15-23(31)34-18(13-25(15,3)20(24)19(17)28)21(29)26-10-6-5-7-11-26/h15-18,20H,5-13H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496721 (CHEMBL3219941) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C24H30O9/c1-5-31-22(28)33-16-10-15(20(26)29-4)23(2)8-6-14-21(27)32-17(13-7-9-30-12-13)11-24(14,3)19(23)18(16)25/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239076 (US9416103, TV-5-129) Show SMILES CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c12 Show InChI InChI=1S/C21H22FNO2/c1-3-4-12-23-14-18(17-6-5-7-20(25-2)21(17)23)19(24)13-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343250 (CHEMBL1773753 | Dimethyl 4-((2S,4aR,6aR,7R,9S,10aS...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccc(C(=O)OC)c(c1)C(=O)OC |r| Show InChI InChI=1S/C29H34O11/c1-14(30)39-20-12-19(26(34)38-6)28(2)10-9-18-27(35)40-21(13-29(18,3)23(28)22(20)31)15-7-8-16(24(32)36-4)17(11-15)25(33)37-5/h7-8,11,18-21,23H,9-10,12-13H2,1-6H3/t18-,19-,20-,21-,23-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343256 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34| Show InChI InChI=1S/C43H42O10/c1-19(44)50-28-17-26(39(47)49-5)41(2)15-14-25-40(48)52-29(18-42(25,3)38(41)35(28)46)24-16-27-31-33(36(24)51-27)43(4)32-21-11-7-9-13-23(21)34(45)22-12-8-6-10-20(22)30(32)37(31)53-43/h6-13,16,25-29,31,33,36-38H,14-15,17-18H2,1-5H3/t25-,26-,27?,28-,29-,31?,33?,36?,37?,38-,41-,42-,43?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496729 (CHEMBL3219934) Show SMILES [H][C@@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239076 (US9416103, TV-5-129) Show SMILES CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c12 Show InChI InChI=1S/C21H22FNO2/c1-3-4-12-23-14-18(17-6-5-7-20(25-2)21(17)23)19(24)13-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50374634 (CHEMBL258098) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496730 (CHEMBL3219942) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)NCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C24H31NO8/c1-5-25-22(29)33-16-10-15(20(27)30-4)23(2)8-6-14-21(28)32-17(13-7-9-31-12-13)11-24(14,3)19(23)18(16)26/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3,(H,25,29)/t14-,15-,16-,17-,19-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50496728 (CHEMBL3219937) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14-,16+,17+,18+,19+,21+,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	777	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50343254 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H32O8/c1-14(30)35-21-12-19(26(32)34-4)28(2)10-9-18-27(33)37-22(13-29(18,3)25(28)23(21)31)17-11-20-15-7-5-6-8-16(15)24(17)36-20/h5-8,11,18-22,24-25H,9-10,12-13H2,1-4H3/t18-,19-,20?,21-,22-,24?,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50374645 (CHEMBL272939) Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496724 (CHEMBL3219938) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14-,16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50496730 (CHEMBL3219942) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)NCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C24H31NO8/c1-5-25-22(29)33-16-10-15(20(27)30-4)23(2)8-6-14-21(28)32-17(13-7-9-31-12-13)11-24(14,3)19(23)18(16)26/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3,(H,25,29)/t14-,15-,16-,17-,19-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343256 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C1C2C2OC1(C)c1c2c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.32,30:31:34:37.38,33:32:27.26:29,52:37:31.32:34,THB:39:38:31.32:34| Show InChI InChI=1S/C43H42O10/c1-19(44)50-28-17-26(39(47)49-5)41(2)15-14-25-40(48)52-29(18-42(25,3)38(41)35(28)46)24-16-27-31-33(36(24)51-27)43(4)32-21-11-7-9-13-23(21)34(45)22-12-8-6-10-20(22)30(32)37(31)53-43/h6-13,16,25-29,31,33,36-38H,14-15,17-18H2,1-5H3/t25-,26-,27?,28-,29-,31?,33?,36?,37?,38-,41-,42-,43?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50343252 (CHEMBL1773747 | Diethyl 5-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)C1=C(C2OC1C=C2[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1)C(=O)OCC |r,c:11,t:5,TLB:3:5:11.10:8,12:11:8:5.6,THB:38:6:11.10:8| Show InChI InChI=1S/C31H38O12/c1-7-39-28(36)21-18-11-15(24(42-18)22(21)29(37)40-8-2)20-13-31(5)16(27(35)43-20)9-10-30(4)17(26(34)38-6)12-19(41-14(3)32)23(33)25(30)31/h11,16-20,24-25H,7-10,12-13H2,1-6H3/t16-,17-,18?,19-,20-,24?,25-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343254 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(7...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1c1ccccc21 |r,t:29,TLB:32:31:26.27:29,THB:35:36:26.27:29,22:26:29:36.31| Show InChI InChI=1S/C29H32O8/c1-14(30)35-21-12-19(26(32)34-4)28(2)10-9-18-27(33)37-22(13-29(18,3)25(28)23(21)31)17-11-20-15-7-5-6-8-16(15)24(17)36-20/h5-8,11,18-22,24-25H,9-10,12-13H2,1-4H3/t18-,19-,20?,21-,22-,24?,25-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343255 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(8...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=CC2OC1C1C3OC(C21)c1c3c2ccccc2c(=O)c2ccccc12 |r,t:29,TLB:22:26:29:31.35,30:31:33:37.36,34:35:27.26:29,51:36:31.35:33,THB:38:37:31.35:33| Show InChI InChI=1S/C42H40O10/c1-18(43)49-27-16-25(39(46)48-4)41(2)14-13-24-40(47)51-28(17-42(24,3)38(41)34(27)45)23-15-26-31-32(35(23)50-26)37-30-20-10-6-8-12-22(20)33(44)21-11-7-5-9-19(21)29(30)36(31)52-37/h5-12,15,24-28,31-32,35-38H,13-14,16-17H2,1-4H3/t24-,25-,26?,27-,28-,31?,32?,35?,36?,37?,38-,41-,42-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50374634 (CHEMBL258098) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50496726 (CHEMBL3219939) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](CBr)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H33BrO8/c1-5-32-19(12-26)33-17-10-16(22(28)30-4)24(2)8-6-15-23(29)34-18(14-7-9-31-13-14)11-25(15,3)21(24)20(17)27/h7,9,13,15-19,21H,5-6,8,10-12H2,1-4H3/t15-,16-,17-,18-,19+,21-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343251 ((2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H32O7/c1-16(30)35-22-14-21(26(32)34-4)28(2)12-11-20-27(33)36-23(15-29(20,3)25(28)24(22)31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,20-23,25H,11-12,14-15H2,1-4H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343250 (CHEMBL1773753 | Dimethyl 4-((2S,4aR,6aR,7R,9S,10aS...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccc(C(=O)OC)c(c1)C(=O)OC |r| Show InChI InChI=1S/C29H34O11/c1-14(30)39-20-12-19(26(34)38-6)28(2)10-9-18-27(35)40-21(13-29(18,3)23(28)22(20)31)15-7-8-16(24(32)36-4)17(11-15)25(33)37-5/h7-8,11,18-21,23H,9-10,12-13H2,1-6H3/t18-,19-,20-,21-,23-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50496723 (CHEMBL3219943) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OCOC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H37NO8/c1-24-9-8-15-23(30)34-18(21(28)26-10-6-5-7-11-26)13-25(15,2)20(24)19(27)17(33-14-31-3)12-16(24)22(29)32-4/h15-18,20H,5-14H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343257 (CHEMBL1773752 | Diethyl 4-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)c1ccc(cc1C(=O)OCC)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r| Show InChI InChI=1S/C31H38O11/c1-7-39-26(34)18-10-9-17(13-19(18)27(35)40-8-2)23-15-31(5)20(29(37)42-23)11-12-30(4)21(28(36)38-6)14-22(41-16(3)32)24(33)25(30)31/h9-10,13,20-23,25H,7-8,11-12,14-15H2,1-6H3/t20-,21-,22-,23-,25-,30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50496723 (CHEMBL3219943) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OCOC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H37NO8/c1-24-9-8-15-23(30)34-18(21(28)26-10-6-5-7-11-26)13-25(15,2)20(24)19(27)17(33-14-31-3)12-16(24)22(29)32-4/h15-18,20H,5-14H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343252 (CHEMBL1773747 | Diethyl 5-((2S,4aR,6aR,7R,9S,10aS,...) Show SMILES CCOC(=O)C1=C(C2OC1C=C2[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1)C(=O)OCC |r,c:11,t:5,TLB:3:5:11.10:8,12:11:8:5.6,THB:38:6:11.10:8| Show InChI InChI=1S/C31H38O12/c1-7-39-28(36)21-18-11-15(24(42-18)22(21)29(37)40-8-2)20-13-31(5)16(27(35)43-20)9-10-30(4)17(26(34)38-6)12-19(41-14(3)32)23(33)25(30)31/h11,16-20,24-25H,7-10,12-13H2,1-6H3/t16-,17-,18?,19-,20-,24?,25-,30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				J Nat Prod 74: 718-26 (2011) Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50496727 (CHEMBL3219940) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@@H](CBr)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H33BrO8/c1-5-32-19(12-26)33-17-10-16(22(28)30-4)24(2)8-6-15-23(29)34-18(14-7-9-31-13-14)11-25(15,3)21(24)20(17)27/h7,9,13,15-19,21H,5-6,8,10-12H2,1-4H3/t15-,16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair

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