Compile Data Set for Download or QSAR

Found 1961 hits with Last Name = 'zhou' and Initial = 'n'   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB 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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1-adrenoceptor (unknown origin) in cerebral cortex membranes after 60 mins by TopCount scintillation counting ...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464861 (CHEMBL4291322) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50150105 (CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake in SERT (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464861 (CHEMBL4291322) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C26H26FN3/c27-22-10-11-25-24(18-22)21(19-28-25)12-13-29-14-16-30(17-15-29)26-9-5-4-8-23(26)20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464857 (CHEMBL4277476) Show SMILES Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464863 (CHEMBL4285796) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529075 (CHEMBL4544153) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25F2N5/c25-19-3-5-23-21(12-19)17(14-27-23)2-1-7-30-8-10-31(11-9-30)24-6-4-20(26)13-22(24)18-15-28-29-16-18/h3-6,12-16,27H,1-2,7-11H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481609 (CHEMBL610504) Show SMILES CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529074 (CHEMBL4574299) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1 Show InChI InChI=1S/C21H21FN4S/c22-16-5-6-19-18(13-16)15(14-23-19)7-8-25-9-11-26(12-10-25)21-17-3-1-2-4-20(17)27-24-21/h1-6,13-14,23H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464864 (CHEMBL4286174) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464866 (CHEMBL4278933) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50452372 (CHEMBL4204665) Show SMILES COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1 Show InChI InChI=1S/C22H29N3O2/c1-26-21-9-4-2-7-19(21)25-15-13-23(14-16-25)11-6-12-24-17-18-27-22-10-5-3-8-20(22)24/h2-5,7-10H,6,11-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50529074 (CHEMBL4574299) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1 Show InChI InChI=1S/C21H21FN4S/c22-16-5-6-19-18(13-16)15(14-23-19)7-8-25-9-11-26(12-10-25)21-17-3-1-2-4-20(17)27-24-21/h1-6,13-14,23H,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50529069 (CHEMBL4476294) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nsc4ccccc34)c2c1 Show InChI InChI=1S/C22H23FN4S/c23-17-7-8-20-19(14-17)16(15-24-20)4-3-9-26-10-12-27(13-11-26)22-18-5-1-2-6-21(18)28-25-22/h1-2,5-8,14-15,24H,3-4,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464859 (CHEMBL4289361) Show SMILES Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529071 (CHEMBL4471208) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1 Show InChI InChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529069 (CHEMBL4476294) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nsc4ccccc34)c2c1 Show InChI InChI=1S/C22H23FN4S/c23-17-7-8-20-19(14-17)16(15-24-20)4-3-9-26-10-12-27(13-11-26)22-18-5-1-2-6-21(18)28-25-22/h1-2,5-8,14-15,24H,3-4,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464858 (CHEMBL4294077) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1 Show InChI InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464856 (CHEMBL4288120) Show SMILES Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)24-8-6-23(30)17-27(24)33-13-11-32(12-14-33)10-2-4-20-18-31-26-9-7-22(29)16-25(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464867 (CHEMBL4289783) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1 Show InChI InChI=1S/C27H27F2N3/c28-22-8-10-26-24(17-22)21(19-30-26)7-4-12-31-13-15-32(16-14-31)27-11-9-23(29)18-25(27)20-5-2-1-3-6-20/h1-3,5-6,8-11,17-19,30H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481608 (CHEMBL598081) Show SMILES CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O Show InChI InChI=1S/C15H11BrN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481605 (CHEMBL598288) Show SMILES CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O Show InChI InChI=1S/C16H14N2O2/c1-10-3-5-11(6-4-10)17-12-7-8-13-14(9-12)16(20)18(2)15(13)19/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50493178 (CHEMBL2419581) Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 90 to 120 mins by liquid scintillatio...				Bioorg Med Chem 21: 5936-44 (2013) Article DOI: 10.1016/j.bmc.2013.07.051 BindingDB Entry DOI: 10.7270/Q23X89K7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524390 (CHEMBL4475619) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O4/c33-14-20-22(34)23(35)26(36-20)32-16-29-21-24(27-15-28-25(21)32)31-12-10-30(11-13-31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,15-16,20,22-23,26,33-35H,10-14H2/t20-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464863 (CHEMBL4285796) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C26H25F2N3/c27-21-5-3-4-19(16-21)23-6-1-2-7-26(23)31-14-12-30(13-15-31)11-10-20-18-29-25-9-8-22(28)17-24(20)25/h1-9,16-18,29H,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50529075 (CHEMBL4544153) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25F2N5/c25-19-3-5-23-21(12-19)17(14-27-23)2-1-7-30-8-10-31(11-9-30)24-6-4-20(26)13-22(24)18-15-28-29-16-18/h3-6,12-16,27H,1-2,7-11H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481604 (CHEMBL610505) Show SMILES CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464866 (CHEMBL4278933) Show SMILES Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H27F2N3/c28-22-7-3-5-20(17-22)24-8-1-2-9-27(24)32-15-13-31(14-16-32)12-4-6-21-19-30-26-11-10-23(29)18-25(21)26/h1-3,5,7-11,17-19,30H,4,6,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50529071 (CHEMBL4471208) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1 Show InChI InChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529073 (CHEMBL4543789) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccoc1 Show InChI InChI=1S/C25H25F2N3O/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50529072 (CHEMBL4459410) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cccs1 Show InChI InChI=1S/C25H25F2N3S/c26-19-5-7-23-21(15-19)18(17-28-23)3-1-9-29-10-12-30(13-11-29)24-8-6-20(27)16-22(24)25-4-2-14-31-25/h2,4-8,14-17,28H,1,3,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50464865 (CHEMBL4289605) Show SMILES Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)25-17-23(30)7-9-27(25)33-13-11-32(12-14-33)10-2-4-20-18-31-26-8-6-22(29)16-24(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting metho...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464864 (CHEMBL4286174) Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1 Show InChI InChI=1S/C27H28FN3/c28-23-12-13-26-25(19-23)22(20-29-26)9-6-14-30-15-17-31(18-16-30)27-11-5-4-10-24(27)21-7-2-1-3-8-21/h1-5,7-8,10-13,19-20,29H,6,9,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464856 (CHEMBL4288120) Show SMILES Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-5-1-3-19(15-21)24-8-6-23(30)17-27(24)33-13-11-32(12-14-33)10-2-4-20-18-31-26-9-7-22(29)16-25(20)26/h1,3,5-9,15-18,31H,2,4,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50529073 (CHEMBL4543789) Show SMILES Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccoc1 Show InChI InChI=1S/C25H25F2N3O/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China State Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counti...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126703 BindingDB Entry DOI: 10.7270/Q2DR2ZZT
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481606 (CHEMBL598082) Show SMILES COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1 Show InChI InChI=1S/C16H14N2O3/c1-18-15(19)13-8-5-11(9-14(13)16(18)20)17-10-3-6-12(21-2)7-4-10/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524393 (CHEMBL4448092) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H29N5O4/c33-16-22-24(34)25(35)27(36-22)32-17-29-23-21(10-11-28-26(23)32)31-14-12-30(13-15-31)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,17,22,24-25,27,33-35H,12-16H2/t22-,24-,25-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464857 (CHEMBL4277476) Show SMILES Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524392 (CHEMBL4475059) Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H29N7O5/c1-37-20-7-4-17(12-27-20)16-2-5-18(6-3-16)31-8-10-32(11-9-31)24-21-25(29-14-28-24)33(15-30-21)26-23(36)22(35)19(13-34)38-26/h2-7,12,14-15,19,22-23,26,34-36H,8-11,13H2,1H3/t19-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524387 (CHEMBL4566815) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H34N6O5/c1-29(2,39)20-7-3-18(4-8-20)19-5-9-21(10-6-19)33-11-13-34(14-12-33)26-23-27(31-16-30-26)35(17-32-23)28-25(38)24(37)22(15-36)40-28/h3-10,16-17,22,24-25,28,36-39H,11-15H2,1-2H3/t22-,24-,25-,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524388 (CHEMBL4449169) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-18-21(30)22(31)24(32-18)28-14-27-20-19(25-13-26-23(20)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,18,21-22,24,29-31H,12H2/t18-,21-,22-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481607 (CHEMBL598083) Show SMILES CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O Show InChI InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524389 (CHEMBL4525944) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)18-5-1-16(2-6-18)17-3-7-19(8-4-17)34-9-11-35(12-10-34)24-21-25(32-14-31-24)36(15-33-21)26-23(39)22(38)20(13-37)40-26/h1-8,14-15,20,22-23,26,37-39H,9-13H2/t20-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524394 (CHEMBL4539148) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C24H26F2N8O4/c25-24(26)34-10-15(9-30-34)14-1-3-16(4-2-14)31-5-7-32(8-6-31)21-18-22(28-12-27-21)33(13-29-18)23-20(37)19(36)17(11-35)38-23/h1-4,9-10,12-13,17,19-20,23-24,35-37H,5-8,11H2/t17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50464858 (CHEMBL4294077) Show SMILES Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1 Show InChI InChI=1S/C26H25F2N3/c27-20-9-10-25-23(17-20)19(18-29-25)11-12-30-13-15-31(16-14-30)26-8-4-2-6-22(26)21-5-1-3-7-24(21)28/h1-10,17-18,29H,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation count...				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50464859 (CHEMBL4289361) Show SMILES Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake in SERT (unknown origin)				Eur J Med Chem 144: 701-715 (2018) Article DOI: 10.1016/j.ejmech.2017.12.063 BindingDB Entry DOI: 10.7270/Q26D5WP7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524383 (CHEMBL4442160) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1961 total )  |  Next  |  Last  >>

Jump to: