Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'bertolasi' and Initial = 'v'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50029750 (CHEMBL288551 | Dimethyl-carbamic acid 5-phenyl-6-t...) Show SMILES CN(C)C(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:6| Show InChI InChI=1S/C21H18N2O2S/c1-22(2)21(24)25-19-17-12-8-14-23(17)16-11-6-7-13-18(16)26-20(19)15-9-4-3-5-10-15/h3-14H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029751 (CHEMBL284371 | Nicotinic acid 5-(4-methoxy-phenyl)...) Show SMILES COc1ccc(cc1)C1=C(OC(=O)c2cccnc2)c2cccn2-c2ccccc2S1 |c:9| Show InChI InChI=1S/C25H18N2O3S/c1-29-19-12-10-17(11-13-19)24-23(30-25(28)18-6-4-14-26-16-18)21-8-5-15-27(21)20-7-2-3-9-22(20)31-24/h2-16H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029756 (3,4,5-Trimethoxy-benzoic acid 9-chloro-5-(4-methox...) Show SMILES COc1ccc(cc1)C1=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccn2-c2cc(Cl)ccc2S1 |c:9| Show InChI InChI=1S/C29H24ClNO6S/c1-33-20-10-7-17(8-11-20)28-26(21-6-5-13-31(21)22-16-19(30)9-12-25(22)38-28)37-29(32)18-14-23(34-2)27(36-4)24(15-18)35-3/h5-16H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029754 (CHEMBL286909 | Methanesulfonic acid 5-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C1=C(OS(C)(=O)=O)c2cccn2-c2ccccc2S1 |c:9| Show InChI InChI=1S/C20H17NO4S2/c1-24-15-11-9-14(10-12-15)20-19(25-27(2,22)23)17-7-5-13-21(17)16-6-3-4-8-18(16)26-20/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029752 (5-Phenyl-6-thia-10b-aza-benzo[e]azulene | CHEMBL35...) Show SMILES S1c2ccccc2-n2cccc2C=C1c1ccccc1 |c:14| Show InChI InChI=1S/C18H13NS/c1-2-7-14(8-3-1)18-13-15-9-6-12-19(15)16-10-4-5-11-17(16)20-18/h1-13H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50029753 (4-Methoxy-5-phenyl-6-thia-10b-aza-benzo[e]azulene ...) Show SMILES COC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:2| Show InChI InChI=1S/C19H15NOS/c1-21-18-16-11-7-13-20(16)15-10-5-6-12-17(15)22-19(18)14-8-3-2-4-9-14/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166145 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166146 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4| Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166135 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166141 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366775 (BENZTROPINE | Benzatropine) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166147 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) Show SMILES CN1C2C[C@@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4| Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166151 ((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6| Show InChI InChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166145 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166150 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4| Show InChI InChI=1S/C23H27F2NO3/c1-26-19-11-20(13-21(26)22(12-19)28-14-27-2)29-23(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-10,19-23H,11-14H2,1-2H3/t19?,20-,21?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166143 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:13:8:11:5.4,3:4:11:9.7.8| Show InChI InChI=1S/C23H28ClNO3/c1-25-19-12-20(14-21(25)22(13-19)27-15-26-2)28-23(16-6-4-3-5-7-16)17-8-10-18(24)11-9-17/h3-11,19-23H,12-15H2,1-2H3/t19?,20-,21?,22-,23?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166144 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-met...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:10:8:1:3.4,5:4:1:7.9.8| Show InChI InChI=1S/C21H24ClNO2/c1-23-17-11-18(13-19(23)20(24)12-17)25-21(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-10,17-21,24H,11-13H2,1H3/t17?,18-,19?,20-,21?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051065 (CHEMBL3318073) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc(C)cc2)nc1N Show InChI InChI=1S/C19H21N5O4/c1-11-5-7-13(8-6-11)21-19-22-18(20)24(23-19)17(25)12-9-14(26-2)16(28-4)15(10-12)27-3/h5-10H,1-4H3,(H3,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166136 ((R)-6-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...) Show SMILES CN1C2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |THB:5:4:1:22.24.23| Show InChI InChI=1S/C21H23F2NO/c1-24-18-3-2-4-19(24)20(13-18)25-21(14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h5-12,18-21H,2-4,13H2,1H3/t18?,19?,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166140 ((S)-6-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...) Show SMILES CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |TLB:5:4:1:22.24.23| Show InChI InChI=1S/C21H23F2NO/c1-24-18-3-2-4-19(24)20(13-18)25-21(14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h5-12,18-21H,2-4,13H2,1H3/t18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051067 (CHEMBL3318075) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc(C)c(C)c2)nc1N Show InChI InChI=1S/C20H23N5O4/c1-11-6-7-14(8-12(11)2)22-20-23-19(21)25(24-20)18(26)13-9-15(27-3)17(29-5)16(10-13)28-4/h6-10H,1-5H3,(H3,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166139 ((3S,6S)-3-Benzhydryloxy-8-methyl-8-aza-bicyclo[3.2...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccccc1 |THB:10:8:1:3.4,5:4:1:7.9.8| Show InChI InChI=1S/C21H25NO2/c1-22-17-12-18(14-19(22)20(23)13-17)24-21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-21,23H,12-14H2,1H3/t17?,18-,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051068 (CHEMBL3318076) Show SMILES CCc1ccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C20H23N5O4/c1-5-12-6-8-14(9-7-12)22-20-23-19(21)25(24-20)18(26)13-10-15(27-2)17(29-4)16(11-13)28-3/h6-11H,5H2,1-4H3,(H3,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051066 (CHEMBL3318074) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2cccc(C)c2)nc1N Show InChI InChI=1S/C19H21N5O4/c1-11-6-5-7-13(8-11)21-19-22-18(20)24(23-19)17(25)12-9-14(26-2)16(28-4)15(10-12)27-3/h5-10H,1-4H3,(H3,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166140 ((S)-6-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...) Show SMILES CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |TLB:5:4:1:22.24.23| Show InChI InChI=1S/C21H23F2NO/c1-24-18-3-2-4-19(24)20(13-18)25-21(14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h5-12,18-21H,2-4,13H2,1H3/t18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051072 (CHEMBL3318084) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc3OCOc3c2)nc1N Show InChI InChI=1S/C19H19N5O6/c1-26-14-6-10(7-15(27-2)16(14)28-3)17(25)24-18(20)22-19(23-24)21-11-4-5-12-13(8-11)30-9-29-12/h4-8H,9H2,1-3H3,(H3,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166137 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES COCO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4| Show InChI InChI=1S/C23H27F2NO3/c1-26-19-11-20(13-21(26)22(12-19)28-14-27-2)29-23(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-10,19-23H,11-14H2,1-2H3/t19?,20-,21?,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051071 (CHEMBL3318080) Show SMILES COc1cccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)c1 Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-6-12(10-13)21-19-22-18(20)24(23-19)17(25)11-8-14(27-2)16(29-4)15(9-11)28-3/h5-10H,1-4H3,(H3,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166137 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES COCO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4| Show InChI InChI=1S/C23H27F2NO3/c1-26-19-11-20(13-21(26)22(12-19)28-14-27-2)29-23(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-10,19-23H,11-14H2,1-2H3/t19?,20-,21?,22+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051070 (CHEMBL3318079) Show SMILES COc1ccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-12(6-8-13)21-19-22-18(20)24(23-19)17(25)11-9-14(27-2)16(29-4)15(10-11)28-3/h5-10H,1-4H3,(H3,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50166142 ((3S,6S)-3-Benzhydryloxy-6-methoxymethoxy-8-methyl-...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:13:8:11:5.4,3:4:11:9.7.8| Show InChI InChI=1S/C23H29NO3/c1-24-19-13-20(15-21(24)22(14-19)26-16-25-2)27-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,13-16H2,1-2H3/t19?,20-,21?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166146 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4| Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50051069 (CHEMBL3318077) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc(cc2)C(C)C)nc1N Show InChI InChI=1S/C21H25N5O4/c1-12(2)13-6-8-15(9-7-13)23-21-24-20(22)26(25-21)19(27)14-10-16(28-3)18(30-5)17(11-14)29-4/h6-12H,1-5H3,(H3,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166141 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H26ClNO2/c1-24-18-12-19(14-20(24)21(13-18)25-2)26-22(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,18-22H,12-14H2,1-2H3/t18?,19-,20?,21-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166150 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4| Show InChI InChI=1S/C23H27F2NO3/c1-26-19-11-20(13-21(26)22(12-19)28-14-27-2)29-23(15-3-7-17(24)8-4-15)16-5-9-18(25)10-6-16/h3-10,19-23H,11-14H2,1-2H3/t19?,20-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166136 ((R)-6-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...) Show SMILES CN1C2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |THB:5:4:1:22.24.23| Show InChI InChI=1S/C21H23F2NO/c1-24-18-3-2-4-19(24)20(13-18)25-21(14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h5-12,18-21H,2-4,13H2,1H3/t18?,19?,20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166147 ((3S,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) Show SMILES CN1C2C[C@@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4| Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166142 ((3S,6S)-3-Benzhydryloxy-6-methoxymethoxy-8-methyl-...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:13:8:11:5.4,3:4:11:9.7.8| Show InChI InChI=1S/C23H29NO3/c1-24-19-13-20(15-21(24)22(14-19)26-16-25-2)27-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,13-16H2,1-2H3/t19?,20-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166139 ((3S,6S)-3-Benzhydryloxy-8-methyl-8-aza-bicyclo[3.2...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccccc1 |THB:10:8:1:3.4,5:4:1:7.9.8| Show InChI InChI=1S/C21H25NO2/c1-22-17-12-18(14-19(22)20(23)13-17)24-21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-21,23H,12-14H2,1H3/t17?,18-,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166143 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-6-met...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:13:8:11:5.4,3:4:11:9.7.8| Show InChI InChI=1S/C23H28ClNO3/c1-25-19-12-20(14-21(25)22(13-19)27-15-26-2)28-23(16-6-4-3-5-7-16)17-8-10-18(24)11-9-17/h3-11,19-23H,12-15H2,1-2H3/t19?,20-,21?,22-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166135 ((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2| Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166144 ((3S,6S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-met...) Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:10:8:1:3.4,5:4:1:7.9.8| Show InChI InChI=1S/C21H24ClNO2/c1-23-17-11-18(13-19(23)20(24)12-17)25-21(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-10,17-21,24H,11-13H2,1H3/t17?,18-,19?,20-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166151 ((3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-b...) Show SMILES CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6| Show InChI InChI=1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50021058 (7-Chloro-1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e]...) Show SMILES CN1CCN=C(c2ccccc2)c2cc(Cl)ccc12 |t:4| Show InChI InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50412707 (CHEMBL230333) Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.676	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Agonist activity at human NPSR Ile107 expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins				J Med Chem 54: 2738-44 (2011) Article DOI: 10.1021/jm200138r BindingDB Entry DOI: 10.7270/Q2TQ62R8
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair				3D Structure (crystal)

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