Compile Data Set for Download or QSAR

Found 1266 hits with Last Name = 'o''neil' and Initial = 'j'   

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 (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-15-33-19-22(3)34(20-21(33)2)29(24-10-7-14-28(35)17-24)23-9-6-11-25(16-23)30(36)32(4)27-13-8-12-26(31)18-27/h5-14,16-18,21-22,29,35H,1,15,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123655 (3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123647 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123654 (CHEMBL157660 | {3-[(R)-((2S,5R)-4-Allyl-2,5-dimeth...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N2CCCc3ccccc23)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H37N3O2/c1-4-17-33-21-24(3)35(22-23(33)2)31(27-12-8-15-29(36)20-27)26-11-7-13-28(19-26)32(37)34-18-9-14-25-10-5-6-16-30(25)34/h4-8,10-13,15-16,19-20,23-24,31,36H,1,9,14,17-18,21-22H2,2-3H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123664 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C32H39N3O2/c1-5-18-33-22-25(4)35(23-24(33)3)31(27-13-11-17-30(36)21-27)26-12-10-14-28(20-26)32(37)34(19-6-2)29-15-8-7-9-16-29/h5,7-17,20-21,24-25,31,36H,1,6,18-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123647 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123649 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(F)cc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)32(4)27-14-12-26(31)13-15-27/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123649 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(F)cc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)32(4)27-14-12-26(31)13-15-27/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123655 (3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123665 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2F)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-11-9-13-26(35)18-24)23-10-8-12-25(17-23)30(36)32(4)28-15-7-6-14-27(28)31/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123665 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2F)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34FN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-11-9-13-26(35)18-24)23-10-8-12-25(17-23)30(36)32(4)28-15-7-6-14-27(28)31/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123662 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)CCc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H39N3O2/c1-5-18-34-22-25(3)35(23-24(34)2)31(28-14-10-16-30(36)21-28)27-13-9-15-29(20-27)32(37)33(4)19-17-26-11-7-6-8-12-26/h5-16,20-21,24-25,31,36H,1,17-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123664 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C32H39N3O2/c1-5-18-33-22-25(4)35(23-24(33)3)31(27-13-11-17-30(36)21-27)26-12-10-14-28(20-26)32(37)34(19-6-2)29-15-8-7-9-16-29/h5,7-17,20-21,24-25,31,36H,1,6,18-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123657 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H37N3O2/c1-5-17-33-20-24(3)34(21-23(33)2)30(27-14-10-16-29(35)19-27)26-13-9-15-28(18-26)31(36)32(4)22-25-11-7-6-8-12-25/h5-16,18-19,23-24,30,35H,1,17,20-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123660 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C2CC2)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H37N3O2/c1-4-18-33-21-24(3)34(22-23(33)2)31(26-11-9-15-30(36)20-26)25-10-8-12-27(19-25)32(37)35(29-16-17-29)28-13-6-5-7-14-28/h4-15,19-20,23-24,29,31,36H,1,16-18,21-22H2,2-3H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123656 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES COc1ccc(cc1)N(C)C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C31H37N3O3/c1-6-17-33-20-23(3)34(21-22(33)2)30(25-10-8-12-28(35)19-25)24-9-7-11-26(18-24)31(36)32(4)27-13-15-29(37-5)16-14-27/h6-16,18-19,22-23,30,35H,1,17,20-21H2,2-5H3/t22-,23+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123652 (3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(CC)C(=O)c1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-15-29-18-21(5)30(19-20(29)4)26(23-12-10-14-25(31)17-23)22-11-9-13-24(16-22)27(32)28(7-2)8-3/h6,9-14,16-17,20-21,26,31H,1,7-8,15,18-19H2,2-5H3/t20-,21+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells				J Med Chem 54: 6824-31 (2011) Article DOI: 10.1021/jm200733r BindingDB Entry DOI: 10.7270/Q2XD1227
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123657 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H37N3O2/c1-5-17-33-20-24(3)34(21-23(33)2)30(27-14-10-16-29(35)19-27)26-13-9-15-28(18-26)31(36)32(4)22-25-11-7-6-8-12-25/h5-16,18-19,23-24,30,35H,1,17,20-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123650 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C31H37N3O2/c1-5-18-32-21-24(4)34(22-23(32)3)30(26-13-11-17-29(35)20-26)25-12-10-14-27(19-25)31(36)33(6-2)28-15-8-7-9-16-28/h5,7-17,19-20,23-24,30,35H,1,6,18,21-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123662 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)CCc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H39N3O2/c1-5-18-34-22-25(3)35(23-24(34)2)31(28-14-10-16-30(36)21-28)27-13-9-15-29(20-27)32(37)33(4)19-17-26-11-7-6-8-12-26/h5-16,20-21,24-25,31,36H,1,17-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123648 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2C(F)(F)F)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H34F3N3O2/c1-5-16-36-19-22(3)37(20-21(36)2)29(24-11-9-13-26(38)18-24)23-10-8-12-25(17-23)30(39)35(4)28-15-7-6-14-27(28)31(32,33)34/h5-15,17-18,21-22,29,38H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123656 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES COc1ccc(cc1)N(C)C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C31H37N3O3/c1-6-17-33-20-23(3)34(21-22(33)2)30(25-10-8-12-28(35)19-25)24-9-7-11-26(18-24)31(36)32(4)27-13-15-29(37-5)16-14-27/h6-16,18-19,22-23,30,35H,1,17,20-21H2,2-5H3/t22-,23+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123660 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C2CC2)c2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H37N3O2/c1-4-18-33-21-24(3)34(22-23(33)2)31(26-11-9-15-30(36)20-26)25-10-8-12-27(19-25)32(37)35(29-16-17-29)28-13-6-5-7-14-28/h4-15,19-20,23-24,29,31,36H,1,16-18,21-22H2,2-3H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123653 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(cc2)[N+]([O-])=O)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34N4O4/c1-5-16-32-19-22(3)33(20-21(32)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)31(4)26-12-14-27(15-13-26)34(37)38/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123654 (CHEMBL157660 | {3-[(R)-((2S,5R)-4-Allyl-2,5-dimeth...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N2CCCc3ccccc23)[C@@H](C)CN1CC=C Show InChI InChI=1S/C32H37N3O2/c1-4-17-33-21-24(3)35(22-23(33)2)31(27-12-8-15-29(36)20-27)26-11-7-13-28(19-26)32(37)34-18-9-14-25-10-5-6-16-30(25)34/h4-8,10-13,15-16,19-20,23-24,31,36H,1,9,14,17-18,21-22H2,2-3H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123646 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(Cl)cc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34ClN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)32(4)27-14-12-26(31)13-15-27/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123648 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2C(F)(F)F)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H34F3N3O2/c1-5-16-36-19-22(3)37(20-21(36)2)29(24-11-9-13-26(38)18-24)23-10-8-12-25(17-23)30(39)35(4)28-15-7-6-14-27(28)31(32,33)34/h5-15,17-18,21-22,29,38H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123651 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C32H38FN3O2/c1-5-17-34-21-24(4)36(22-23(34)3)31(26-10-8-12-30(37)20-26)25-9-7-11-27(19-25)32(38)35(18-6-2)29-15-13-28(33)14-16-29/h5,7-16,19-20,23-24,31,37H,1,6,17-18,21-22H2,2-4H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123653 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(cc2)[N+]([O-])=O)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34N4O4/c1-5-16-32-19-22(3)33(20-21(32)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)31(4)26-12-14-27(15-13-26)34(37)38/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123652 (3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(CC)C(=O)c1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-15-29-18-21(5)30(19-20(29)4)26(23-12-10-14-25(31)17-23)22-11-9-13-24(16-22)27(32)28(7-2)8-3/h6,9-14,16-17,20-21,26,31H,1,7-8,15,18-19H2,2-5H3/t20-,21+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123650 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C31H37N3O2/c1-5-18-32-21-24(4)34(22-23(32)3)30(26-13-11-17-29(35)20-26)25-12-10-14-27(19-25)31(36)33(6-2)28-15-8-7-9-16-28/h5,7-17,19-20,23-24,30,35H,1,6,18,21-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123646 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(Cl)cc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C30H34ClN3O2/c1-5-16-33-19-22(3)34(20-21(33)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)32(4)27-14-12-26(31)13-15-27/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123659 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C31H36FN3O2/c1-5-17-33-20-23(4)35(21-22(33)3)30(25-10-8-12-29(36)19-25)24-9-7-11-26(18-24)31(37)34(6-2)28-15-13-27(32)14-16-28/h5,7-16,18-19,22-23,30,36H,1,6,17,20-21H2,2-4H3/t22-,23+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123651 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C32H38FN3O2/c1-5-17-34-21-24(4)36(22-23(34)3)31(26-10-8-12-30(37)20-26)25-9-7-11-27(19-25)32(38)35(18-6-2)29-15-13-28(33)14-16-29/h5,7-16,19-20,23-24,31,37H,1,6,17-18,21-22H2,2-4H3/t23-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123659 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C31H36FN3O2/c1-5-17-33-20-23(4)35(21-22(33)3)30(25-10-8-12-29(36)19-25)24-9-7-11-26(18-24)31(37)34(6-2)28-15-13-27(32)14-16-28/h5,7-16,18-19,22-23,30,36H,1,6,17,20-21H2,2-4H3/t22-,23+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123661 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2/c1-5-7-20-35(30-16-9-8-10-17-30)33(38)29-15-11-13-27(21-29)32(28-14-12-18-31(37)22-28)36-24-25(3)34(19-6-2)23-26(36)4/h6,8-18,21-22,25-26,32,37H,2,5,7,19-20,23-24H2,1,3-4H3/t25-,26+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123661 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2/c1-5-7-20-35(30-16-9-8-10-17-30)33(38)29-15-11-13-27(21-29)32(28-14-12-18-31(37)22-28)36-24-25(3)34(19-6-2)23-26(36)4/h6,8-18,21-22,25-26,32,37H,2,5,7,19-20,23-24H2,1,3-4H3/t25-,26+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sigma1 receptor by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	22.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT expressed in CHO cells				J Med Chem 53: 4511-21 (2010) Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	22.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells				J Med Chem 54: 6824-31 (2011) Article DOI: 10.1021/jm200733r BindingDB Entry DOI: 10.7270/Q2XD1227
					More data for this Ligand-Target Pair

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