Compile Data Set for Download or QSAR

Found 1256 hits with Last Name = 'chang' and Initial = 't'   

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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM81811 (CAS_123679 | L-657,743 | MK-912 | NSC_123679) Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303852 ((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303852 ((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A adrenergic receptor (MOUSE)	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303848 ((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r| Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/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	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303848 ((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r| Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/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	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22170 ((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...) Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81811 (CAS_123679 | L-657,743 | MK-912 | NSC_123679) Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM81811 (CAS_123679 | L-657,743 | MK-912 | NSC_123679) Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22199 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kuang Tien General Hospital Curated by ChEMBL					Assay Description Binding affinity to human SSTR2A				Bioorg Med Chem Lett 18: 4593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.027 BindingDB Entry DOI: 10.7270/Q2SQ9063
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50001033 ((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...) Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50005429 (CHEMBL4070288) Show SMILES CCc1ccc(cc1)C(=O)NCC1N(C)CCc2ccccc12 Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?,49?/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	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22172 ((2S)-1-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl...) Show SMILES O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22180 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-2-...) Show SMILES F[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H31F3N2O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	-45.5	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22169 ((1R)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...) Show SMILES O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50159249 (CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...) Show SMILES c1ccc2ccccc2c1 Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (MOUSE)	BDBM50241196 ((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...) Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50001033 ((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...) Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22186 (4-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H34F2N2O2/c1-29(34,25-5-3-2-4-6-25)15-16-32-17-19-33(20-18-32)21-22-35-28(23-7-11-26(30)12-8-23)24-9-13-27(31)14-10-24/h2-14,28,34H,15-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22168 ((1S)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...) Show SMILES O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	-44.3	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50159249 (CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...) Show SMILES c1ccc2ccccc2c1 Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora C kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50007985 (CHEMBL4097865) Show SMILES CCc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50042064 (CHEMBL4097466) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O2/c1-26-17-11-12-18(26)14-19(13-17)28-24(27)21-15-23(16-7-3-2-4-8-16)25-22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303852 ((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22200 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3,4-dih...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22188 (1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,28H,14-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015426 (CHEMBL4070750) Show SMILES Cc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C14H13N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50009239 (CHEMBL4092125) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22187 (4-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}-2-p...) Show SMILES CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-29(32,27-15-9-4-10-16-27)17-18-30-19-21-31(22-20-30)23-24-33-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28,32H,17-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	4
National Taiwan University					Assay Description The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...				J Med Chem 51: 2795-806 (2008) Article DOI: 10.1021/jm701270n BindingDB Entry DOI: 10.7270/Q2B27SK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by PDSP Ki Database									Biochem Pharmacol 55: 1035-43 (1998) Article DOI: 10.1016/s0006-2952(97)00631-x BindingDB Entry DOI: 10.7270/Q2T72G01
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 1256 total )  |  Next  |  Last  >>

Jump to: