Compile Data Set for Download or QSAR

Found 2288 hits with Last Name = 'manning' and Initial = 'jr'   

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 (Rattus norvegicus (rat))	BDBM50254113 ((R)-4-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)-N-met...) Show SMILES CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C19H20Cl2N2/c1-22-10-3-5-14(13-7-8-17(20)18(21)12-13)15-4-2-6-19-16(15)9-11-23-19/h2,4,6-9,11-12,14,22-23H,3,5,10H2,1H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254027 ((R)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...) Show SMILES CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254112 ((S)-4-(1-(3,4-dimethylphenyl)hexyl)-1H-indene hydr...) Show SMILES CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C19H20Cl2N2/c1-22-10-3-5-14(13-7-8-17(20)18(21)12-13)15-4-2-6-19-16(15)9-11-23-19/h2,4,6-9,11-12,14,22-23H,3,5,10H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254111 ((S)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254110 ((R)-4-(3,4-dichlorophenyl)-N-methyl-4-(naphthalen-...) Show SMILES CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H21Cl2N/c1-24-13-5-10-18(16-11-12-20(22)21(23)14-16)19-9-4-7-15-6-2-3-8-17(15)19/h2-4,6-9,11-12,14,18,24H,5,10,13H2,1H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254075 ((R)-3-(3,4-dichlorophenyl)-N-methyl-3-(naphthalen-...) Show SMILES CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt 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
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254049 ((S)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...) Show SMILES CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254073 ((S)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...) Show SMILES CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254048 ((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...) Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254046 ((R)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...) Show SMILES CNCC[C@@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254071 ((S)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...) Show SMILES CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50136674 ((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...) Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254047 ((S)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...) Show SMILES CNCC[C@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254071 ((S)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...) Show SMILES CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254111 ((S)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254049 ((S)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...) Show SMILES CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254076 ((S)-4-(3,4-dichlorophenyl)-N-methyl-4-(naphthalen-...) Show SMILES CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H21Cl2N/c1-24-13-5-10-18(16-11-12-20(22)21(23)14-16)19-9-4-7-15-6-2-3-8-17(15)19/h2-4,6-9,11-12,14,18,24H,5,10,13H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254047 ((S)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...) Show SMILES CNCC[C@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254073 ((S)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...) Show SMILES CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254072 ((R)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...) Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254074 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(naphthalen-...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254027 ((R)-3-(3,4-dichlorophenyl)-3-(1H-indol-4-yl)-N-met...) Show SMILES CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18Cl2N2/c1-21-9-7-13(12-5-6-16(19)17(20)11-12)14-3-2-4-18-15(14)8-10-22-18/h2-6,8,10-11,13,21-22H,7,9H2,1H3/t13-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254050 ((R)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...) Show SMILES CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254048 ((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...) Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254046 ((R)-N-methyl-3-(naphthalen-1-yl)-3-(thiophen-2-yl)...) Show SMILES CNCC[C@@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254050 ((R)-3-(1H-indol-4-yl)-N-methyl-3-(thiophen-2-yl)pr...) Show SMILES CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N2S/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15/h2-6,8,10-11,14,17-18H,7,9H2,1H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50254072 ((R)-4-(1H-indol-4-yl)-N-methyl-4-(thiophen-2-yl)bu...) Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C17H20N2S/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254112 ((S)-4-(1-(3,4-dimethylphenyl)hexyl)-1H-indene hydr...) Show SMILES CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C19H20Cl2N2/c1-22-10-3-5-14(13-7-8-17(20)18(21)12-13)15-4-2-6-19-16(15)9-11-23-19/h2,4,6-9,11-12,14,22-23H,3,5,10H2,1H3/t14-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254074 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(naphthalen-...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254075 ((R)-3-(3,4-dichlorophenyl)-N-methyl-3-(naphthalen-...) Show SMILES CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254110 ((R)-4-(3,4-dichlorophenyl)-N-methyl-4-(naphthalen-...) Show SMILES CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H21Cl2N/c1-24-13-5-10-18(16-11-12-20(22)21(23)14-16)19-9-4-7-15-6-2-3-8-17(15)19/h2-4,6-9,11-12,14,18,24H,5,10,13H2,1H3/t18-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254113 ((R)-4-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)-N-met...) Show SMILES CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C19H20Cl2N2/c1-22-10-3-5-14(13-7-8-17(20)18(21)12-13)15-4-2-6-19-16(15)9-11-23-19/h2,4,6-9,11-12,14,22-23H,3,5,10H2,1H3/t14-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50254076 ((S)-4-(3,4-dichlorophenyl)-N-methyl-4-(naphthalen-...) Show SMILES CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H21Cl2N/c1-24-13-5-10-18(16-11-12-20(22)21(23)14-16)19-9-4-7-15-6-2-3-8-17(15)19/h2-4,6-9,11-12,14,18,24H,5,10,13H2,1H3/t18-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510977 (CHEMBL4577527) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C21H17F4N5O2S/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(23)12(22)6-10)20(2)14-7-21(14,18(24)25)33-19(26)30-20/h1,5-6,8-9,14,18H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,20+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510993 (CHEMBL4437161) Show SMILES [H][C@@]12C[C@]1(CF)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:9| Show InChI InChI=1S/C21H18F3N5O2S/c1-3-4-31-16-9-26-14(8-27-16)18(30)28-11-5-12(17(24)13(23)6-11)20(2)15-7-21(15,10-22)32-19(25)29-20/h1,5-6,8-9,15H,4,7,10H2,2H3,(H2,25,29)(H,28,30)/t15-,20+,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510987 (CHEMBL4472708) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(=O)N(C)C |r,c:7| Show InChI InChI=1S/C23H22F2N6O3S/c1-5-6-34-17-11-27-15(10-28-17)19(32)29-12-7-13(18(25)14(24)8-12)22(2)16-9-23(16,20(33)31(3)4)35-21(26)30-22/h1,7-8,10-11,16H,6,9H2,2-4H3,(H2,26,30)(H,29,32)/t16-,22+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510987 (CHEMBL4472708) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(=O)N(C)C |r,c:7| Show InChI InChI=1S/C23H22F2N6O3S/c1-5-6-34-17-11-27-15(10-28-17)19(32)29-12-7-13(18(25)14(24)8-12)22(2)16-9-23(16,20(33)31(3)4)35-21(26)30-22/h1,7-8,10-11,16H,6,9H2,2-4H3,(H2,26,30)(H,29,32)/t16-,22+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510976 (CHEMBL4560579) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510983 (CHEMBL4475533) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(=O)NC |r,c:7| Show InChI InChI=1S/C20H18ClF2N5O2S/c1-19(14-7-20(14,17(30)25-2)31-18(24)28-19)11-5-10(6-12(22)15(11)23)27-16(29)13-4-3-9(21)8-26-13/h3-6,8,14H,7H2,1-2H3,(H2,24,28)(H,25,30)(H,27,29)/t14-,19+,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510982 (CHEMBL4473740) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(=O)N(C)C |r,c:7| Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(15-8-21(15,18(31)29(2)3)32-19(25)28-20)12-6-11(7-13(23)16(12)24)27-17(30)14-5-4-10(22)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,30)/t15-,20+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510981 (CHEMBL4468455) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(N)=O |r,c:7| Show InChI InChI=1S/C19H16ClF2N5O2S/c1-18(13-6-19(13,16(23)29)30-17(24)27-18)10-4-9(5-11(21)14(10)22)26-15(28)12-3-2-8(20)7-25-12/h2-5,7,13H,6H2,1H3,(H2,23,29)(H2,24,27)(H,26,28)/t13-,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair

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