Compile Data Set for Download or QSAR

Found 229 hits Enz. Inhib. hit(s) with all data for entry = 4941   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83446 (1-pyrrolidinecarbodithioic acid [2-[[2-(dimethylam...) Show SMILES CN(C)C(CNC(=O)CSC(=S)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C17H25N3OS2/c1-19(2)15(14-8-4-3-5-9-14)12-18-16(21)13-23-17(22)20-10-6-7-11-20/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83447 (4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-N-cyclopro...) Show SMILES Clc1cc(Br)cc(Cl)c1S(=O)(=O)N1CCN(CC1)C(=S)NC1CC1 Show InChI InChI=1S/C14H16BrCl2N3O2S2/c15-9-7-11(16)13(12(17)8-9)24(21,22)20-5-3-19(4-6-20)14(23)18-10-1-2-10/h7-8,10H,1-6H2,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83448 (Buprenorphine-3--Beta--D-glucuronide | MLS00232070...) Show SMILES [H][C@]12Cc3ccc(OC4OC([C@@H](O)C(O)[C@H]4O)C(O)=O)c4OC5[C@](CCN1CC1CC1)(c34)C21CCC5(OC)C(C1)C(C)(O)C(C)(C)C |TLB:40:38:23.22:33.34,THB:27:26:32:31.2.3| Show InChI InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20?,21-,23?,24+,25-,27?,29?,30?,32?,33?,34+,35?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM79397 ((5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-azanylidene-4-[(2R...) Show SMILES CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:19| Show InChI InChI=1S/C31H51Cl2N7/c1-7-22(6)29-19-40(31(35)38(29)14-12-23-10-11-25(32)26(33)15-23)28(21(4)5)18-37-13-8-9-24(37)17-39-27(20(2)3)16-36-30(39)34/h10-11,15,20-22,24,27-29,35H,7-9,12-14,16-19H2,1-6H3,(H2,34,36)/t22-,24+,27+,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83449 (1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...) Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.36E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83450 (ALFENTANIL | Alfentanil hydrochloride | MLS0023206...) Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1 Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83451 ((4R,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16?,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83452 ((+)--alpha--Propoxyphene hydrochloride | MLS002320...) Show SMILES CCC(=O)OC(Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1 Show InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.64E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83453 ((-)-Phenazocine hydrobromide | MLS002320754 | SMR0...) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCc1ccccc1)C2C |TLB:9:10:24:15.13.14,THB:16:15:24:3.10.4| Show InChI InChI=1S/C22H27NO.BrH/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17;/h3-9,15-16,21,24H,10-14H2,1-2H3;1H/t16?,21-,22-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	551	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM40683 (MLS000550970 | N-[4-[[1,4-bis(oxidanylidene)-3-[4-...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15| Show InChI InChI=1S/C29H28N4O5S/c1-20(34)30-22-11-13-23(14-12-22)39(37,38)31-26-27(29(36)25-10-6-5-9-24(25)28(26)35)33-17-15-32(16-18-33)19-21-7-3-2-4-8-21/h2-14,31H,15-19H2,1H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83454 (MLS002584703 | N-(4,6-dimethyl-2-pyrimidinyl)-1,3-...) Show SMILES COc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1 |t:9| Show InChI InChI=1S/C25H30N6O2/c1-18-13-19(2)28-24(27-18)29-25-26-16-30(14-20-5-9-22(32-3)10-6-20)17-31(25)15-21-7-11-23(33-4)12-8-21/h5-13H,14-17H2,1-4H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83455 (3-acetamido-N-[2-(dimethylamino)-2-(2-furanyl)ethy...) Show SMILES CN(C)C(CNC(=O)CC(NC(C)=O)c1ccccc1)c1ccco1 Show InChI InChI=1S/C19H25N3O3/c1-14(23)21-16(15-8-5-4-6-9-15)12-19(24)20-13-17(22(2)3)18-10-7-11-25-18/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83289 (2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...) Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C Show InChI InChI=1S/C21H20N4O5/c1-4-29-20(27)17-11(2)18(23-12(17)3)21(28)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,13,23H,4,10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM43520 (2-[(4-methyl-1-piperazinyl)methyl]-3-[[4-(2-naphth...) Show SMILES CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C28H27N5OS/c1-31-12-14-32(15-13-31)17-26-29-24-9-5-4-8-23(24)28(34)33(26)18-27-30-25(19-35-27)22-11-10-20-6-2-3-7-21(20)16-22/h2-11,16,19H,12-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM80753 (4-(2-hydroxy-1-naphthalenyl)naphthalene-1,2-dione ...) Show SMILES Oc1ccc2ccccc2c1C1=CC(=O)C(=O)c2ccccc12 |t:13| Show InChI InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83458 (1-[2-[2-(1-oxo-2-triphenylphosphoranylideneethyl)p...) Show SMILES O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C52H40O2P2/c53-51(39-55(41-23-7-1-8-24-41,42-25-9-2-10-26-42)43-27-11-3-12-28-43)49-37-21-19-35-47(49)48-36-20-22-38-50(48)52(54)40-56(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM81250 (3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,...) Show SMILES COC(=O)c1cc2-c3c(c[nH]c3C(=O)C(=O)c2n1S(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83459 (MLS002724420 | N-(3,4-dimethylphenyl)-1-[3-[[(1R)-...) Show SMILES C[C@@H](NCCCn1cnc(n1)C(=O)Nc1ccc(C)c(C)c1)c1cccc2ccccc12 Show InChI InChI=1S/C26H29N5O/c1-18-12-13-22(16-19(18)2)29-26(32)25-28-17-31(30-25)15-7-14-27-20(3)23-11-6-9-21-8-4-5-10-24(21)23/h4-6,8-13,16-17,20,27H,7,14-15H2,1-3H3,(H,29,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83460 (2,6-bis(diethylaminomethyl)-4-[(10-methyl-11-indol...) Show SMILES CCN(CC)Cc1cc(Nc2c3n(C)c4ccccc4c3nc3ccccc23)cc(CN(CC)CC)c1O Show InChI InChI=1S/C32H39N5O/c1-6-36(7-2)20-22-18-24(19-23(32(22)38)21-37(8-3)9-4)33-29-25-14-10-12-16-27(25)34-30-26-15-11-13-17-28(26)35(5)31(29)30/h10-19,38H,6-9,20-21H2,1-5H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83461 ((phenylmethyl) N,N-dimethyl-N'-(C-methylsulfanyl-N...) Show SMILES CS\C(N=C(SCc1ccccc1)N(C)C)=N/c1ccccc1 Show InChI InChI=1S/C18H21N3S2/c1-21(2)18(23-14-15-10-6-4-7-11-15)20-17(22-3)19-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/b19-17-,20-18?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83462 (6-[11-(4,4-diphenyl-1-piperidinyl)-1-oxoundecyl]-2...) Show SMILES Cc1nc2nc(C)n(CCN3CCOCC3)c(=O)c2c(-c2cccc(c2)[N+]([O-])=O)c1C(=O)CCCCCCCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C49H60N6O5/c1-37-44(45(39-18-17-23-42(36-39)55(58)59)46-47(50-37)51-38(2)54(48(46)57)31-30-53-32-34-60-35-33-53)43(56)24-15-7-5-3-4-6-8-16-27-52-28-25-49(26-29-52,40-19-11-9-12-20-40)41-21-13-10-14-22-41/h9-14,17-23,36H,3-8,15-16,24-35H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83463 ((-)-Metazocine fumarate (2:1) | MLS002320713 | SMR...) Show SMILES [O-]C(=O)\C=C\C([O-])=O.[H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C)C2C |TLB:16:17:24:22.20.21,THB:23:22:24:17.10.11| Show InChI InChI=1S/C15H21NO.C4H4O4/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3;5-3(6)1-2-4(7)8/h4-5,9-10,14,17H,6-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+/t10?,14-,15-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83464 (3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyra...) Show SMILES COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O |t:33| Show InChI InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83465 ((17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,...) Show SMILES CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(N)=N |t:9| Show InChI InChI=1S/C22H34N2OS/c1-13(25)17-6-7-18-16-5-4-14-12-15(26-20(23)24)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,15-19H,5-12H2,1-3H3,(H3,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.03E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83286 (3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin...) Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1cc2cccc(C)c2[nH]c1=O Show InChI InChI=1S/C24H27N7O/c1-17-7-6-10-19-15-20(24(32)25-21(17)19)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)16-18-8-4-3-5-9-18/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83287 (1-[1-(2,5-Dimethyl-benzyl)-piperidin-4-yl]-5-fluor...) Show SMILES Cc1ccc(C)c(CN2CCC(CC2)n2nnc3cc(F)ccc23)c1 Show InChI InChI=1S/C20H23FN4/c1-14-3-4-15(2)16(11-14)13-24-9-7-18(8-10-24)25-20-6-5-17(21)12-19(20)22-23-25/h3-6,11-12,18H,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83288 (MLS000035002 | Propionic acid 1,2,5-trimethyl-4-m-...) Show SMILES CCC(=O)OC1(CC(C)N(C)CC1C)c1cccc(C)c1 Show InChI InChI=1S/C18H27NO2/c1-6-17(20)21-18(16-9-7-8-13(2)10-16)11-15(4)19(5)12-14(18)3/h7-10,14-15H,6,11-12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM67709 (4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...) Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1 Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM32051 (3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...) Show SMILES Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1 Show InChI InChI=1S/C18H16ClNO4S2/c19-16-14-5-1-2-6-15(14)25-17(16)18(21)20(10-13-4-3-8-24-13)12-7-9-26(22,23)11-12/h1-6,8,12H,7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM39599 (MLS000056730 | N-(2-keto-4-methyl-chromen-7-yl)-2,...) Show SMILES Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12 Show InChI InChI=1S/C19H15NO5/c1-11-8-18(21)25-16-9-12(6-7-13(11)16)20-19(22)17-10-23-14-4-2-3-5-15(14)24-17/h2-9,17H,10H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83289 (2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...) Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C Show InChI InChI=1S/C21H20N4O5/c1-4-29-20(27)17-11(2)18(23-12(17)3)21(28)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,13,23H,4,10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83290 (MLS000060563 | N-[2-(dimethylamino)-2-phenyl-ethyl...) Show SMILES CN(C)C(CNC(=O)CCOc1cccc(C)c1)c1ccccc1 Show InChI InChI=1S/C20H26N2O2/c1-16-8-7-11-18(14-16)24-13-12-20(23)21-15-19(22(2)3)17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83291 (1-cyclohexyl-3-[2-(dimethylamino)-2-(3-pyridinyl)e...) Show SMILES CN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1 Show InChI InChI=1S/C16H26N4O/c1-20(2)15(13-7-6-10-17-11-13)12-18-16(21)19-14-8-4-3-5-9-14/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83292 (MLS000092581 | N-[1-(4-phenyl-1-piperazinyl)-1-thi...) Show SMILES CCCC(=O)NC(C)C(N1CCN(CC1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C21H29N3OS/c1-3-8-20(25)22-17(2)21(19-11-7-16-26-19)24-14-12-23(13-15-24)18-9-5-4-6-10-18/h4-7,9-11,16-17,21H,3,8,12-15H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83293 (1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-...) Show SMILES COc1ccc(cc1OC)-c1nc(CN2CCC(CC2)C(=O)NC2CCCc3ccccc23)c(C)o1 Show InChI InChI=1S/C29H35N3O4/c1-19-25(31-29(36-19)22-11-12-26(34-2)27(17-22)35-3)18-32-15-13-21(14-16-32)28(33)30-24-10-6-8-20-7-4-5-9-23(20)24/h4-5,7,9,11-12,17,21,24H,6,8,10,13-16,18H2,1-3H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83294 (2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-6-(me...) Show SMILES CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)C(C#N)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H18N4O3S/c1-30-11-10-18(26-21(28)13-6-2-3-7-14(13)22(26)29)19(27)15(12-23)20-24-16-8-4-5-9-17(16)25-20/h2-9,15,18H,10-11H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM62896 (1-[2-(1H-Benzoimidazol-2-yl)-ethyl]-1-cyclopentyl-...) Show SMILES CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 Show InChI InChI=1S/C24H30N4O/c1-17(2)18-11-13-19(14-12-18)25-24(29)28(20-7-3-4-8-20)16-15-23-26-21-9-5-6-10-22(21)27-23/h5-6,9-14,17,20H,3-4,7-8,15-16H2,1-2H3,(H,25,29)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83295 (3-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dihydro-indol-...) Show SMILES Cc1ccc2cc(C(N3CCc4ccccc34)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C27H24N6O/c1-18-11-12-21-16-22(27(34)28-23(21)15-18)25(32-14-13-20-9-5-6-10-24(20)32)26-29-30-31-33(26)17-19-7-3-2-4-8-19/h2-12,15-16,25H,13-14,17H2,1H3,(H,28,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM39643 (1-[2-Imino-3-(4-methyl-benzyl)-2,3-dihydro-benzoim...) Show SMILES Cc1ccc(Cn2c3ccccc3n(CC(O)COc3ccccc3)c2=N)cc1 Show InChI InChI=1S/C24H25N3O2/c1-18-11-13-19(14-12-18)15-26-22-9-5-6-10-23(22)27(24(26)25)16-20(28)17-29-21-7-3-2-4-8-21/h2-14,20,25,28H,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83296 (2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1-met...) Show SMILES Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2ccccc12 Show InChI InChI=1S/C19H21ClN4/c1-22-18-8-3-2-7-17(18)21-19(22)14-23-9-11-24(12-10-23)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83297 (2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)...) Show SMILES COc1ccc2c(Cl)c(sc2c1)-c1nnc(SCC(=O)c2ccccc2)n1C Show InChI InChI=1S/C20H16ClN3O2S2/c1-24-19(18-17(21)14-9-8-13(26-2)10-16(14)28-18)22-23-20(24)27-11-15(25)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83298 (MLS000534974 | N-(1,1-diketothiolan-3-yl)-3,6-dime...) Show SMILES Cc1c(oc2cc(C)ccc12)C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1 Show InChI InChI=1S/C20H21NO4S2/c1-13-5-6-17-14(2)19(25-18(17)10-13)20(22)21(11-16-4-3-8-26-16)15-7-9-27(23,24)12-15/h3-6,8,10,15H,7,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.36E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83299 (3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(th...) Show SMILES CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1 Show InChI InChI=1S/C21H29N3O2S/c1-2-18-6-8-19(9-7-18)22-21(25)24(17-20-5-3-16-27-20)11-4-10-23-12-14-26-15-13-23/h3,5-9,16H,2,4,10-15,17H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83300 (1-(4-ethylphenyl)-3-(3-keto-4-methyl-1,4-benzothia...) Show SMILES CCc1ccc(NC(=O)Nc2ccc3SCC(=O)N(C)c3c2)cc1 Show InChI InChI=1S/C18H19N3O2S/c1-3-12-4-6-13(7-5-12)19-18(23)20-14-8-9-16-15(10-14)21(2)17(22)11-24-16/h4-10H,3,11H2,1-2H3,(H2,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83301 (4-(cyclohexylamino)-3-(4-morpholinylsulfonyl)-N-ph...) Show SMILES O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H29N3O4S/c27-23(25-20-9-5-2-6-10-20)18-11-12-21(24-19-7-3-1-4-8-19)22(17-18)31(28,29)26-13-15-30-16-14-26/h2,5-6,9-12,17,19,24H,1,3-4,7-8,13-16H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83302 (1-(benzyloxy)-2-(2,4-dichlorophenyl)-1H-imidazo[4,...) Show SMILES Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H13Cl2N3O/c20-14-8-9-15(16(21)11-14)19-23-18-17(7-4-10-22-18)24(19)25-12-13-5-2-1-3-6-13/h1-11H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83303 (MLS000558591 | N-[5,7-bis(4-methoxyphenyl)-1,5,6,7...) Show SMILES COc1ccc(cc1)C1CC(c2ccc(OC)cc2)n2nc(NC(=O)c3cccs3)nc2N1 Show InChI InChI=1S/C24H23N5O3S/c1-31-17-9-5-15(6-10-17)19-14-20(16-7-11-18(32-2)12-8-16)29-24(25-19)27-23(28-29)26-22(30)21-4-3-13-33-21/h3-13,19-20H,14H2,1-2H3,(H2,25,26,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM40683 (MLS000550970 | N-[4-[[1,4-bis(oxidanylidene)-3-[4-...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15| Show InChI InChI=1S/C29H28N4O5S/c1-20(34)30-22-11-13-23(14-12-22)39(37,38)31-26-27(29(36)25-10-6-5-9-24(25)28(26)35)33-17-15-32(16-18-33)19-21-7-3-2-4-8-21/h2-14,31H,15-19H2,1H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.24E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83304 (4-Amino-furazan-3-carboxylic acid (2-{[2-(2-fluoro...) Show SMILES Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2F)ccc2ccccc12 Show InChI InChI=1S/C23H22FN5O3/c24-19-8-4-2-6-16(19)14-31-20-10-9-15-5-1-3-7-17(15)18(20)13-26-11-12-27-23(30)21-22(25)29-32-28-21/h1-10,26H,11-14H2,(H2,25,29)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.48E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM52304 (1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...) Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)| Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 229 total )  |  Next  |  Last  >>

Jump to: