Compile Data Set for Download or QSAR

Found 790 hits with Last Name = 'little' and Initial = 'pj'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50007377 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...) Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity for human Kappa opioid receptor				Bioorg Med Chem Lett 14: 5693-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093965 (CHEMBL86324 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-9-11-19(12-10-17)22(23,24)25)20(16-27-13-5-6-14-27)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176375 (2-(3,4-dichlorophenylamino)-N-((S)-2-((S)-3-hydrox...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-25(21(28)12-24-16-7-8-18(22)19(23)11-16)20(15-5-3-2-4-6-15)14-26-10-9-17(27)13-26/h2-8,11,17,20,24,27H,9-10,12-14H2,1H3/t17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176369 (CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1 Show InChI InChI=1S/C21H27N3O2/c1-23(21(26)14-22-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-24-13-12-19(25)15-24/h2-11,19-20,22,25H,12-16H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50155498 ((S)-3-(3,4-Dichloro-phenyl)-1-[(S)-2-((S)-3-hydrox...) Show SMILES O[C@H]1CCN(C[C@@H](N2CC=CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2)C1 |c:9| Show InChI InChI=1S/C24H26Cl2N2O2/c25-21-10-9-18(14-22(21)26)20-8-4-5-12-28(24(20)30)23(17-6-2-1-3-7-17)16-27-13-11-19(29)15-27/h1-7,9-10,14,19-20,23,29H,8,11-13,15-16H2/t19-,20-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity for human Kappa opioid receptor				Bioorg Med Chem Lett 14: 5693-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176370 (CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50205684 (CHEMBL230288 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccccc1 Show InChI InChI=1S/C22H27N3O3/c1-24(22(28)14-21(27)23-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-25-13-12-19(26)15-25/h2-11,19-20,26H,12-16H2,1H3,(H,23,27)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 1951-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.053 BindingDB Entry DOI: 10.7270/Q2Q52P9X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160834 (CHEMBL183248 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H26F3N3O/c1-27(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-28-11-2-3-12-28)17-5-4-6-19(26)14-17/h4-10,14,20H,2-3,11-13,15,26H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176374 (CHEMBL382932 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H29N3O2/c1-23(19-11-7-4-8-12-19)17-22(27)24(2)21(18-9-5-3-6-10-18)16-25-14-13-20(26)15-25/h3-12,20-21,26H,13-17H2,1-2H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells				J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50155494 (3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...) Show SMILES Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity for human Kappa opioid receptor				Bioorg Med Chem Lett 14: 5693-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160840 (CHEMBL365486 | N-[(S)-1-(3-Methanesulfonylamino-ph...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(NS(C)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H28F3N3O3S/c1-28(22(30)14-17-8-10-19(11-9-17)23(24,25)26)21(16-29-12-3-4-13-29)18-6-5-7-20(15-18)27-33(2,31)32/h5-11,15,21,27H,3-4,12-14,16H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176373 (2-(2-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-20-10-6-5-9-18(20)13-23)21(17-7-3-2-4-8-17)16-26-12-11-19(27)15-26/h2-10,19,21,24,27H,11-12,14-16H2,1H3/t19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176365 (CHEMBL201905 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c1-27(21(30)13-26-18-9-7-17(8-10-18)22(23,24)25)20(16-5-3-2-4-6-16)15-28-12-11-19(29)14-28/h2-10,19-20,26,29H,11-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86965 ((S)-5-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50252953 (CHEMBL494479 | N,N-Diethyl-4-(6-hydroxyspiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-10-9-19(27)15-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells				J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160832 (CHEMBL181279 | N-[1-(3-Hydroxy-phenyl)-2-pyrrolidi...) Show SMILES CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O2/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(28)14-17/h4-10,14,20,28H,2-3,11-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86964 (2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160842 (CHEMBL362248 | N-[(S)-1-(3-aminosulfonylamino-phen...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(NS(N)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H27F3N4O3S/c1-28(21(30)13-16-7-9-18(10-8-16)22(23,24)25)20(15-29-11-2-3-12-29)17-5-4-6-19(14-17)27-33(26,31)32/h4-10,14,20,27H,2-3,11-13,15H2,1H3,(H2,26,31,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86968 ((S)-6-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176367 (2-(3-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(c1)C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-5-6-17(12-19)13-23)21(18-7-3-2-4-8-18)16-26-11-10-20(27)15-26/h2-9,12,20-21,24,27H,10-11,14-16H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160836 (CHEMBL180803 | N-[1-(3-Methoxy-phenyl)-2-pyrrolidi...) Show SMILES COc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N2O2/c1-27(22(29)14-17-8-10-19(11-9-17)23(24,25)26)21(16-28-12-3-4-13-28)18-6-5-7-20(15-18)30-2/h5-11,15,21H,3-4,12-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50205686 (CHEMBL230607 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1nccs1 Show InChI InChI=1S/C19H24N4O3S/c1-22(18(26)11-17(25)21-19-20-8-10-27-19)16(14-5-3-2-4-6-14)13-23-9-7-15(24)12-23/h2-6,8,10,15-16,24H,7,9,11-13H2,1H3,(H,20,21,25)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 1951-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.053 BindingDB Entry DOI: 10.7270/Q2Q52P9X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297321 (CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...) Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20| Show InChI InChI=1S/C28H26N2O2/c31-27(30-18-22-5-1-2-6-23(22)19-30)21-11-9-20(10-12-21)25-17-28(13-15-29-16-14-28)32-26-8-4-3-7-24(25)26/h1-12,17,29H,13-16,18-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86969 ((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160838 (CHEMBL365198 | N-Methyl-N-[(S)-1-(3-nitro-phenyl)-...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)[N+]([O-])=O)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H24F3N3O3/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(14-17)28(30)31/h4-10,14,20H,2-3,11-13,15H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176376 (2-(4-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-7-17(13-23)8-10-19)21(18-5-3-2-4-6-18)16-26-12-11-20(27)15-26/h2-10,20-21,24,27H,11-12,14-16H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297339 (CHEMBL557458 | N,N-Diethyl-2-hydroxy-4-(spiro[chro...) Show SMILES CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50155495 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13| Show InChI InChI=1S/C25H27F3N2O/c26-25(27,28)21-13-11-19(12-14-21)22-10-4-5-17-30(24(22)31)23(18-29-15-6-7-16-29)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity for human Kappa opioid receptor				Bioorg Med Chem Lett 14: 5693-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176372 (CHEMBL201283 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1CNS(C)(=O)=O Show InChI InChI=1S/C23H32N4O4S/c1-26(22(18-8-4-3-5-9-18)17-27-13-12-20(28)16-27)23(29)15-24-21-11-7-6-10-19(21)14-25-32(2,30)31/h3-11,20,22,24-25,28H,12-17H2,1-2H3/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174961 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50252954 (ADL-5859 | CHEMBL494480 | N,N-diethyl-4-(5-hydroxy...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells				J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297329 ((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r| Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176362 (2-((4-cyanophenyl)(methyl)amino)-N-((S)-2-((S)-3-h...) Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H28N4O2/c1-25(20-10-8-18(14-24)9-11-20)17-23(29)26(2)22(19-6-4-3-5-7-19)16-27-13-12-21(28)15-27/h3-11,21-22,28H,12-13,15-17H2,1-2H3/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50304919 (CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...) Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)	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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 20: 387-91 (2010) Article DOI: 10.1016/j.bmcl.2009.10.062 BindingDB Entry DOI: 10.7270/Q27P8ZGK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297316 (CHEMBL561882 | N,N-Diisopropyl-4-(spiro[chromene-2...) Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16| Show InChI InChI=1S/C26H32N2O2/c1-18(2)28(19(3)4)25(29)21-11-9-20(10-12-21)23-17-26(13-15-27-16-14-26)30-24-8-6-5-7-22(23)24/h5-12,17-19,27H,13-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174963 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297338 (CHEMBL562873 | N,N-Diethyl-2-fluoro-4-(spiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)19-10-9-17(15-21(19)25)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells				J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174957 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cccc(NS(C)(=O)=O)c2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-7-4-3-5-8-16)15-26-12-11-18(27)14-26)23(28)21-13-17-9-6-10-19(22(17)31-21)24-32(2,29)30/h3-10,18,20-21,24,27H,11-15H2,1-2H3/t18-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50205677 (CHEMBL425836 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1cccnc1 Show InChI InChI=1S/C21H26N4O3/c1-24(21(28)12-20(27)23-17-8-5-10-22-13-17)19(16-6-3-2-4-7-16)15-25-11-9-18(26)14-25/h2-8,10,13,18-19,26H,9,11-12,14-15H2,1H3,(H,23,27)/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 1951-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.053 BindingDB Entry DOI: 10.7270/Q2Q52P9X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174967 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50252952 (CHEMBL495094 | N,N-Diethyl-4-(7-hydroxyspiro[chrom...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-15-19(27)9-10-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells				J Med Chem 51: 5893-6 (2008) Article DOI: 10.1021/jm8008986 BindingDB Entry DOI: 10.7270/Q26W9C0D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297331 (CHEMBL550472 | N,N-Diethyl-5-(spiro[chromene-2,4'-...) Show SMILES CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13| Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-10-9-19(27-20)17-15-22(11-13-23-14-12-22)26-18-8-6-5-7-16(17)18/h5-10,15,23H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176371 (CHEMBL202267 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C24H34N4O4S/c1-3-15-33(31,32)26-21-11-9-20(10-12-21)25-16-24(30)27(2)23(19-7-5-4-6-8-19)18-28-14-13-22(29)17-28/h4-12,22-23,25-26,29H,3,13-18H2,1-2H3/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50297328 ((+/-)-N,N-Diethyl-4-(spiro[chroman-2,4'-piperidine...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12 Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells				J Med Chem 52: 5685-702 (2009) Article DOI: 10.1021/jm900773n BindingDB Entry DOI: 10.7270/Q2VD6ZH3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174956 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174964 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50277152 ((1S,2S,4R)-1,3,3-trimethyl-N-(4-methyl-3-(morpholi...) Show SMILES Cc1ccc(NC(=O)[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-17(13-18(15)29(26,27)24-9-11-28-12-10-24)23-20(25)19-21(2,3)16-7-8-22(19,4)14-16/h5-6,13,16,19H,7-12,14H2,1-4H3,(H,23,25)/t16-,19-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry				Bioorg Med Chem Lett 19: 309-13 (2008) Article DOI: 10.1016/j.bmcl.2008.11.091 BindingDB Entry DOI: 10.7270/Q2G73DK3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174949 (CHEMBL371685 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C24H31N3O5S/c1-26(21(17-6-4-3-5-7-17)16-27-13-12-20(28)15-27)24(29)23-10-8-18-14-19(25-33(2,30)31)9-11-22(18)32-23/h3-7,9,11,14,20-21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t20-,21+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair

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