Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'marella' and Initial = 'm'   

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))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| 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/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| 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/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					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 Similars	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 In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093964 (CHEMBL313484 | N-Methyl-N-((S)-1-phenyl-2-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-8-7-11-19(14-17)22(23,24)25)20(16-27-12-5-6-13-27)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093969 (CHEMBL82919 | N-Methyl-2-(3-nitro-phenyl)-N-((S)-1...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-17-8-7-11-19(14-17)24(26)27)20(16-23-12-5-6-13-23)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093958 (2-(2-Amino-3,4-dichloro-phenyl)-N-methyl-N-((S)-1-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N Show InChI InChI=1S/C21H25Cl2N3O/c1-25(19(27)13-16-9-10-17(22)20(23)21(16)24)18(14-26-11-5-6-12-26)15-7-3-2-4-8-15/h2-4,7-10,18H,5-6,11-14,24H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093966 (2-(3,4-Dichloro-2-nitro-phenyl)-N-methyl-N-((S)-1-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1[N+]([O-])=O Show InChI InChI=1S/C21H23Cl2N3O3/c1-24(18(14-25-11-5-6-12-25)15-7-3-2-4-8-15)19(27)13-16-9-10-17(22)20(23)21(16)26(28)29/h2-4,7-10,18H,5-6,11-14H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093970 (2-(3,4-Dichloro-2-dimethanesulfonylamino-phenyl)-N...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O Show InChI InChI=1S/C23H29Cl2N3O5S2/c1-26(20(16-27-13-7-8-14-27)17-9-5-4-6-10-17)21(29)15-18-11-12-19(24)22(25)23(18)28(34(2,30)31)35(3,32)33/h4-6,9-12,20H,7-8,13-16H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093962 (CHEMBL87306 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-18-11-5-6-12-19(18)22(23,24)25)20(16-27-13-7-8-14-27)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377009 (CHEMBL257140) Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O5S/c1-31(20-23-11-5-3-6-12-23)39(35,36)29-19-28-27(37-22-38-28)17-25(29)18-30(34)32(2)26(21-33-15-9-10-16-33)24-13-7-4-8-14-24/h3-8,11-14,17,19,26H,9-10,15-16,18,20-22H2,1-2H3/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50010702 (CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)| Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377005 (CHEMBL402135) Show SMILES CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O5S/c1-25(2)33(29,30)23-15-22-21(31-17-32-22)13-19(23)14-24(28)26(3)20(16-27-11-7-8-12-27)18-9-5-4-6-10-18/h4-6,9-10,13,15,20H,7-8,11-12,14,16-17H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093968 (CHEMBL87207 | N-Methyl-2-(2-nitro-phenyl)-N-((S)-1...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-18-11-5-6-12-19(18)24(26)27)20(16-23-13-7-8-14-23)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377008 (CHEMBL254959) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O5S/c1-26(2)34(30,31)24-17-23(33-5)22(32-4)15-20(24)16-25(29)27(3)21(18-28-13-9-10-14-28)19-11-7-6-8-12-19/h6-8,11-12,15,17,21H,9-10,13-14,16,18H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377011 (CHEMBL257139) Show SMILES CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H31N3O6S/c1-25(2)34(30,31)23-13-22-21(32-16-33-22)11-18(23)12-24(29)26(3)20(17-7-5-4-6-8-17)15-27-10-9-19(28)14-27/h4-8,11,13,19-20,28H,9-10,12,14-16H2,1-3H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377006 (CHEMBL402189) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-29-11-7-8-12-29)21-9-5-4-6-10-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)37(32,33)30-13-15-36-16-14-30/h4-6,9-10,17,19,23H,7-8,11-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093971 (2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-18-11-5-6-12-19(18)22)20(16-24-13-7-8-14-24)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16,22H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377017 (CHEMBL401594) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O5S/c1-32(22-24-13-7-5-8-14-24)40(36,37)30-21-29(39-4)28(38-3)19-26(30)20-31(35)33(2)27(23-34-17-11-12-18-34)25-15-9-6-10-16-25/h5-10,13-16,19,21,27H,11-12,17-18,20,22-23H2,1-4H3/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377012 (CHEMBL403273) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377007 (CHEMBL257355) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-9-5-4-6-10-20)19-29-14-11-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)37(33,34)30-12-7-8-13-30/h4-6,9-10,15,17,22-23,31H,7-8,11-14,16,18-19H2,1-3H3/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093967 (2-(3-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(N)c1 Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-17-8-7-11-19(22)14-17)20(16-24-12-5-6-13-24)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16,22H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093963 (2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(N)cc1 Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-17-9-11-19(22)12-10-17)20(16-24-13-5-6-14-24)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16,22H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377007 (CHEMBL257355) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-9-5-4-6-10-20)19-29-14-11-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)37(33,34)30-12-7-8-13-30/h4-6,9-10,15,17,22-23,31H,7-8,11-14,16,18-19H2,1-3H3/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093972 (CHEMBL87986 | N-Methyl-2-(4-nitro-phenyl)-N-((S)-1...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-17-9-11-19(12-10-17)24(26)27)20(16-23-13-5-6-14-23)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 Similars	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 In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377015 (CHEMBL437784) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O5S/c1-29-14-16-32(17-15-29)38(34,35)27-20-26(37-4)25(36-3)18-23(27)19-28(33)30(2)24(21-31-12-8-9-13-31)22-10-6-5-7-11-22/h5-7,10-11,18,20,24H,8-9,12-17,19,21H2,1-4H3/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377013 (CHEMBL429677) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O7S/c1-28(23(20-7-5-4-6-8-20)19-29-10-9-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)38(33,34)30-11-13-37-14-12-30/h4-8,15,17,22-23,31H,9-14,16,18-19H2,1-3H3/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377017 (CHEMBL401594) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O5S/c1-32(22-24-13-7-5-8-14-24)40(36,37)30-21-29(39-4)28(38-3)19-26(30)20-31(35)33(2)27(23-34-17-11-12-18-34)25-15-9-6-10-16-25/h5-10,13-16,19,21,27H,11-12,17-18,20,22-23H2,1-4H3/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377018 (CHEMBL254960) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O6S/c1-26(2)35(31,32)24-15-23(34-5)22(33-4)13-19(24)14-25(30)27(3)21(18-9-7-6-8-10-18)17-28-12-11-20(29)16-28/h6-10,13,15,20-21,29H,11-12,14,16-17H2,1-5H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377013 (CHEMBL429677) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O7S/c1-28(23(20-7-5-4-6-8-20)19-29-10-9-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)38(33,34)30-11-13-37-14-12-30/h4-8,15,17,22-23,31H,9-14,16,18-19H2,1-3H3/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377004 (CHEMBL258172) Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC Show InChI InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377009 (CHEMBL257140) Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O5S/c1-31(20-23-11-5-3-6-12-23)39(35,36)29-19-28-27(37-22-38-28)17-25(29)18-30(34)32(2)26(21-33-15-9-10-16-33)24-13-7-4-8-14-24/h3-8,11-14,17,19,26H,9-10,15-16,18,20-22H2,1-2H3/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377014 (CHEMBL254754) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O6S/c1-29-12-14-32(15-13-29)39(35,36)27-18-26(38-4)25(37-3)16-22(27)17-28(34)30(2)24(21-8-6-5-7-9-21)20-31-11-10-23(33)19-31/h5-9,16,18,23-24,33H,10-15,17,19-20H2,1-4H3/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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 kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377014 (CHEMBL254754) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O6S/c1-29-12-14-32(15-13-29)39(35,36)27-18-26(38-4)25(37-3)16-22(27)17-28(34)30(2)24(21-8-6-5-7-9-21)20-31-11-10-23(33)19-31/h5-9,16,18,23-24,33H,10-15,17,19-20H2,1-4H3/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377007 (CHEMBL257355) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-9-5-4-6-10-20)19-29-14-11-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)37(33,34)30-12-7-8-13-30/h4-6,9-10,15,17,22-23,31H,7-8,11-14,16,18-19H2,1-3H3/t22-,23+/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	5.90	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010702 (CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)| Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.90	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093961 (2-(3-Dimethanesulfonylamino-phenyl)-N-methyl-N-((S...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N(S(C)(=O)=O)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O5S2/c1-24(22(18-25-14-7-8-15-25)20-11-5-4-6-12-20)23(27)17-19-10-9-13-21(16-19)26(32(2,28)29)33(3,30)31/h4-6,9-13,16,22H,7-8,14-15,17-18H2,1-3H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377011 (CHEMBL257139) Show SMILES CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H31N3O6S/c1-25(2)34(30,31)23-13-22-21(32-16-33-22)11-18(23)12-24(29)26(3)20(17-7-5-4-6-8-17)15-27-10-9-19(28)14-27/h4-8,11,13,19-20,28H,9-10,12,14-16H2,1-3H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377009 (CHEMBL257140) Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O5S/c1-31(20-23-11-5-3-6-12-23)39(35,36)29-19-28-27(37-22-38-28)17-25(29)18-30(34)32(2)26(21-33-15-9-10-16-33)24-13-7-4-8-14-24/h3-8,11-14,17,19,26H,9-10,15-16,18,20-22H2,1-2H3/t26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093960 (2-(2-Dimethanesulfonylamino-phenyl)-N-methyl-N-((S...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O5S2/c1-24(22(18-25-15-9-10-16-25)19-11-5-4-6-12-19)23(27)17-20-13-7-8-14-21(20)26(32(2,28)29)33(3,30)31/h4-8,11-14,22H,9-10,15-18H2,1-3H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377013 (CHEMBL429677) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O7S/c1-28(23(20-7-5-4-6-8-20)19-29-10-9-22(31)18-29)27(32)16-21-15-24(35-2)25(36-3)17-26(21)38(33,34)30-11-13-37-14-12-30/h4-8,15,17,22-23,31H,9-14,16,18-19H2,1-3H3/t22-,23+/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	9	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377018 (CHEMBL254960) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O6S/c1-26(2)35(31,32)24-15-23(34-5)22(33-4)13-19(24)14-25(30)27(3)21(18-9-7-6-8-10-18)17-28-12-11-20(29)16-28/h6-10,13,15,20-21,29H,11-12,14,16-17H2,1-5H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377006 (CHEMBL402189) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-29-11-7-8-12-29)21-9-5-4-6-10-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)37(32,33)30-13-15-36-16-14-30/h4-6,9-10,17,19,23H,7-8,11-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50010702 (CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)| Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377006 (CHEMBL402189) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N3O6S/c1-28(23(20-29-11-7-8-12-29)21-9-5-4-6-10-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)37(32,33)30-13-15-36-16-14-30/h4-6,9-10,17,19,23H,7-8,11-16,18,20H2,1-3H3/t23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377017 (CHEMBL401594) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O5S/c1-32(22-24-13-7-5-8-14-24)40(36,37)30-21-29(39-4)28(38-3)19-26(30)20-31(35)33(2)27(23-34-17-11-12-18-34)25-15-9-6-10-16-25/h5-10,13-16,19,21,27H,11-12,17-18,20,22-23H2,1-4H3/t27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377015 (CHEMBL437784) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N4O5S/c1-29-14-16-32(17-15-29)38(34,35)27-20-26(37-4)25(36-3)18-23(27)19-28(33)30(2)24(21-31-12-8-9-13-31)22-10-6-5-7-11-22/h5-7,10-11,18,20,24H,8-9,12-17,19,21H2,1-4H3/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| 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/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	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-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair

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