Compile Data Set for Download or QSAR

Found 521 hits with Last Name = 'yao' and Initial = 'q'   

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))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22| Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22| Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212291 ((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7| Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7| Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22| Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212295 ((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....) Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16| Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/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	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7| Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212291 ((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7| Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212297 ((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...) Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23| Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7| Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212292 ((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8| Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212292 ((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8| Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212291 ((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7| Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212299 ((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...) Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13| Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212292 ((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8| Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212298 ((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8| Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50088341 (11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...) Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21 Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Drug Research Curated by ChEMBL					Assay Description Antagonist activity at dopamine D5 receptor (unknown origin)				ACS Med Chem Lett 5: 304-8 (2014) Article DOI: 10.1021/ml400373j BindingDB Entry DOI: 10.7270/Q2CN75F4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50088341 (11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...) Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21 Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Drug Research Curated by ChEMBL					Assay Description Antagonist activity at dopamine D1 receptor (unknown origin)				ACS Med Chem Lett 5: 304-8 (2014) Article DOI: 10.1021/ml400373j BindingDB Entry DOI: 10.7270/Q2CN75F4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212295 ((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....) Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16| Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1	PDB 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212295 ((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....) Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16| Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212294 ((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8| Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50407504 (CHEMBL5275740) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (Alpha-1A adrenergic receptor )				Citation and Details
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004822 ((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...) Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Drug Research Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin)				ACS Med Chem Lett 5: 304-8 (2014) Article DOI: 10.1021/ml400373j BindingDB Entry DOI: 10.7270/Q2CN75F4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212298 ((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8| Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50407504 (CHEMBL5275740) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine H3 receptor				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50600 (MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...) Show SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11| Show InChI InChI=1S/C18H18ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212298 ((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8| Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/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	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212294 ((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8| Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212294 ((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...) Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8| Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50407506 (CHEMBL4595333) Show SMILES CC(C)(C)c1ccc(Sc2c(N)ccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H21N5S/c1-18(2,3)10-4-6-11(7-5-10)24-15-12(19)8-9-13-14(15)16(20)23-17(21)22-13/h4-9H,19H2,1-3H3,(H4,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50407507 (CHEMBL5281819) Show SMILES CCC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C19H22N4S/c1-4-19(2,3)12-8-10-13(11-9-12)24-15-7-5-6-14-16(15)17(20)23-18(21)22-14/h5-11H,4H2,1-3H3,(H4,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50009730 ((E)-2-Amino-octadec-4-ene-1,3-diol | 2-Amino-octad...) Show SMILES CCCCCCCCCCCCC\C=C\C(O)C(N)CO Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars		3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (alpha1A receptor)				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50407505 (CHEMBL447685) Show SMILES CC(C)(C)c1ccc(Sc2c(ccc3nc(N)nc(N)c23)C#N)cc1 Show InChI InChI=1S/C19H19N5S/c1-19(2,3)12-5-7-13(8-6-12)25-16-11(10-20)4-9-14-15(16)17(21)24-18(22)23-14/h4-9H,1-3H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor )				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50139649 (CHEMBL3764617) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50407505 (CHEMBL447685) Show SMILES CC(C)(C)c1ccc(Sc2c(ccc3nc(N)nc(N)c23)C#N)cc1 Show InChI InChI=1S/C19H19N5S/c1-19(2,3)12-5-7-13(8-6-12)25-16-11(10-20)4-9-14-15(16)17(21)24-18(22)23-14/h4-9H,1-3H3,(H4,21,22,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Mus musculus)	BDBM50407506 (CHEMBL4595333) Show SMILES CC(C)(C)c1ccc(Sc2c(N)ccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H21N5S/c1-18(2,3)10-4-6-11(7-5-10)24-15-12(19)8-9-13-14(15)16(20)23-17(21)22-13/h4-9H,19H2,1-3H3,(H4,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Mus musculus)	BDBM50407507 (CHEMBL5281819) Show SMILES CCC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C19H22N4S/c1-4-19(2,3)12-8-10-13(11-9-12)24-15-7-5-6-14-16(15)17(20)23-18(21)22-14/h5-11H,4H2,1-3H3,(H4,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50139649 (CHEMBL3764617) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212291 ((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7| Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50499123 (CHEMBL3734938) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)C1COCCN1 Show InChI InChI=1S/C30H33N5O3/c1-4-19-14-21-22(15-25(19)34-8-10-35(11-9-34)29(37)24-17-38-12-7-32-24)30(2,3)28-26(27(21)36)20-6-5-18(16-31)13-23(20)33-28/h5-6,13-15,24,32-33H,4,7-12,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50499104 (CHEMBL3736273) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C29H29N5O/c1-4-18-12-23-24(13-22(18)19-15-32-34(16-19)20-7-9-31-10-8-20)29(2,3)28-26(27(23)35)21-6-5-17(14-30)11-25(21)33-28/h5-6,11-13,15-16,20,31,33H,4,7-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
					More data for this Ligand-Target Pair

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