Compile Data Set for Download or QSAR

Found 851 hits with Last Name = 'choi' and Initial = 'r'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154364 ((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228440 (5-chloro-2-(2-((dimethylamino)methyl)-4-(2-fluoroe...) Show SMILES CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClFN2OS/c1-21(2)11-12-9-14(22-8-7-19)4-6-16(12)23-17-5-3-13(18)10-15(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50119550 (5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...) Show SMILES CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N Show InChI InChI=1S/C15H16ClFN2S/c1-19(2)9-10-5-3-4-6-14(10)20-15-8-12(17)11(16)7-13(15)18/h3-8H,9,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228439 (5-bromo-2-(2-((dimethylamino)methyl)-4-(2-fluoroet...) Show SMILES CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N Show InChI InChI=1S/C17H20BrFN2OS/c1-21(2)11-12-9-14(22-8-7-19)4-6-16(12)23-17-5-3-13(18)10-15(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50301022 ((+)-9-fluoropropyl-dihydrotetrabenazine | CHEMBL57...) Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1OCCCF |r| Show InChI InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 3435-8 (2011) Article DOI: 10.1016/j.bmcl.2011.03.113 BindingDB Entry DOI: 10.7270/Q289166R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228444 (2-(2-((dimethylamino)methyl)-4-(2-fluoroethoxy)phe...) Show SMILES CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C17H20F2N2OS/c1-21(2)11-12-9-14(22-8-7-18)4-6-16(12)23-17-5-3-13(19)10-15(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154366 (CHEMBL183470 | [2-(2-Dimethylaminomethyl-phenoxy)-...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1CO Show InChI InChI=1S/C16H18INO2/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228435 (5-bromo-2-(2-((dimethylamino)methyl)-4-(3-fluoropr...) Show SMILES CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N Show InChI InChI=1S/C18H22BrFN2OS/c1-22(2)12-13-10-15(23-9-3-8-20)5-7-17(13)24-18-6-4-14(19)11-16(18)21/h4-7,10-11H,3,8-9,12,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228438 (3-(4-(2-amino-4-bromophenylthio)-3-((dimethylamino...) Show SMILES CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N Show InChI InChI=1S/C18H23BrN2O2S/c1-21(2)12-13-10-15(23-9-3-8-22)5-7-17(13)24-18-6-4-14(19)11-16(18)20/h4-7,10-11,22H,3,8-9,12,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228437 (2-(2-((dimethylamino)methyl)-4-(2-fluoroethoxy)phe...) Show SMILES CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N Show InChI InChI=1S/C17H21FN2OS/c1-20(2)12-13-11-14(21-10-9-18)7-8-16(13)22-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50154365 (2-(2-((dimethylamino)methyl)phenoxy)-5-iodoaniline...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481120 (Flutemetamol | [3H]-Flutemetamol) Show SMILES CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481120 (Flutemetamol | [3H]-Flutemetamol) Show SMILES CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228436 (2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)ph...) Show SMILES CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C18H22F2N2OS/c1-22(2)12-13-10-15(23-9-3-8-19)5-7-17(13)24-18-6-4-14(20)11-16(18)21/h4-7,10-11H,3,8-9,12,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50301021 ((+)-dihydrotetrabenzaine | CHEMBL576222 | US110532...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC |r| Show InChI InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 3435-8 (2011) Article DOI: 10.1016/j.bmcl.2011.03.113 BindingDB Entry DOI: 10.7270/Q289166R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50119548 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50091095 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...) Show SMILES COc1ccc(Sc2ccccc2CN(C)C)c(N)c1 Show InChI InChI=1S/C16H20N2OS/c1-18(2)11-12-6-4-5-7-15(12)20-16-9-8-13(19-3)10-14(16)17/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228443 (2-(4-(2-aminophenylthio)-3-((dimethylamino)methyl)...) Show SMILES CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N Show InChI InChI=1S/C17H22N2O2S/c1-19(2)12-13-11-14(21-10-9-20)7-8-16(13)22-17-6-4-3-5-15(17)18/h3-8,11,20H,9-10,12,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228441 (2-(4-(2-amino-4-fluoro-phenylthio)-3-((dimethylami...) Show SMILES CN(C)Cc1cc(OCCO)ccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C17H21FN2O2S/c1-20(2)11-12-9-14(22-8-7-21)4-6-16(12)23-17-5-3-13(18)10-15(17)19/h3-6,9-10,21H,7-8,11,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50122787 (2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1 Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228445 (3-(4-(2-aminophenylthio)-3-((dimethylamino)methyl)...) Show SMILES CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N Show InChI InChI=1S/C18H24N2O2S/c1-20(2)13-14-12-15(22-11-5-10-21)8-9-17(14)23-18-7-4-3-6-16(18)19/h3-4,6-9,12,21H,5,10-11,13,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50122787 (2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1 Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109052 ((4-Benzothiazol-2-yl-phenyl)-methyl-amine | 4-(ben...) Show SMILES CNc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50228433 (2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)ph...) Show SMILES CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N Show InChI InChI=1S/C18H23FN2OS/c1-21(2)13-14-12-15(22-11-5-10-19)8-9-17(14)23-18-7-4-3-6-16(18)20/h3-4,6-9,12H,5,10-11,13,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells				J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50479453 (CHEMBL519255) Show SMILES FCCOCCOCCOc1ccc(cc1)C#Cc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H22FNO3/c23-10-12-25-13-14-26-15-16-27-21-6-3-18(4-7-21)1-2-19-5-8-22-20(17-19)9-11-24-22/h3-9,11,17,24H,10,12-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta-amyloid plaques in AD patient brain				Bioorg Med Chem Lett 18: 4823-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.077 BindingDB Entry DOI: 10.7270/Q28K7CWT
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells				J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481119 (AZD-2184 | CHEMBL570378) Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481123 (CHEMBL570610) Show SMILES CN(C)c1ccc(\C=C\c2ccc(I)cc2)cc1 Show InChI InChI=1S/C16H16IN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50073437 (CHEMBL113382 | [5-Chloro-2-(2-dimethylaminomethyl-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1CO Show InChI InChI=1S/C16H18ClNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of 5-HT reuptake (SERT) in rat brain synaptosomes.				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485236 (BAY-949172 | CHEBI:79033 | FLORBETABEN F18 | Florb...) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1 Show InChI InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481133 (BAY-94-9172 | CHEMBL566723) Show SMILES CNc1ccc(\C=C\c2ccc(OCCCCCCF)cc2)cc1 Show InChI InChI=1S/C21H26FNO/c1-23-20-12-8-18(9-13-20)6-7-19-10-14-21(15-11-19)24-17-5-3-2-4-16-22/h6-15,23H,2-5,16-17H2,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM52401 (4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimet...) Show SMILES CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485233 (AZD-4694 | CHEMBL2042123) Show SMILES CNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1 Show InChI InChI=1S/C13H10FN3OS/c1-15-11-5-3-8(12(14)17-11)13-16-9-4-2-7(18)6-10(9)19-13/h2-6,18H,1H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50119549 (2-(5-Amino-4-chloro-2-nitro-phenylsulfanyl)-N,N-di...) Show SMILES CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+]([O-])=O Show InChI InChI=1S/C15H14ClN3O3S/c1-18(2)15(20)9-5-3-4-6-13(9)23-14-8-11(17)10(16)7-12(14)19(21)22/h3-8H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand				J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50173647 ((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...) Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481126 (CHEMBL566709) Show SMILES CNc1ccc(\C=C\c2ccc(OCCCCF)cc2)cc1 Show InChI InChI=1S/C19H22FNO/c1-21-18-10-6-16(7-11-18)4-5-17-8-12-19(13-9-17)22-15-3-2-14-20/h4-13,21H,2-3,14-15H2,1H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481121 (AV-45 | Florbetapir F-18) Show SMILES CNc1ccc(\C=C\c2ccc(OCCCCCCF)nc2)cc1 Show InChI InChI=1S/C20H25FN2O/c1-22-19-11-8-17(9-12-19)6-7-18-10-13-20(23-16-18)24-15-5-3-2-4-14-21/h6-13,16,22H,2-5,14-15H2,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50484946 ((18F)AV-45 | 18F-AV-45 | AV-45 F-18 | Amyvid | CHE...) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1 Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50173647 ((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...) Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485234 (CHEMBL2042124) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1 Show InChI InChI=1S/C49H67FN4O11/c1-51-45-13-7-41(8-14-45)3-5-43-11-17-48(53-37-43)64-35-33-59-27-25-55-21-23-57-29-31-61-39-47(63-20-19-50)40-62-32-30-58-24-22-56-26-28-60-34-36-65-49-18-12-44(38-54-49)6-4-42-9-15-46(52-2)16-10-42/h3-18,37-38,47,51-52H,19-36,39-40H2,1-2H3/b5-3+,6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485235 (CHEMBL2042245) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1 Show InChI InChI=1S/C57H83FN4O15/c1-59-53-13-7-49(8-14-53)3-5-51-11-17-56(61-45-51)76-43-41-71-35-33-67-27-25-63-21-23-65-29-31-69-37-39-73-47-55(75-20-19-58)48-74-40-38-70-32-30-66-24-22-64-26-28-68-34-36-72-42-44-77-57-18-12-52(46-62-57)6-4-50-9-15-54(60-2)16-10-50/h3-18,45-46,55,59-60H,19-44,47-48H2,1-2H3/b5-3+,6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
					More data for this Ligand-Target Pair

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