Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'tolomeo' and Initial = 'm'   

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
Ribonucleoside-diphosphate reductase large subunit/subunit M2 B (Homo sapiens (Human))	BDBM50497567 (CHEMBL3337770) Show SMILES CCCC(CCC)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H29N5O5/c1-4-6-11(7-5-2)18(26)28-8-12-19(3,27)14(25)17(29-12)24-10-23-13-15(20)21-9-22-16(13)24/h9-12,14,17,25,27H,4-8H2,1-3H3,(H2,20,21,22)/t12-,14+,17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant ribonucleotide reductase in presence of varying levels of ATP by Dixon plot				Bioorg Med Chem Lett 24: 5304-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.046 BindingDB Entry DOI: 10.7270/Q22Z18H9
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273714 (CHEMBL446734 | [2-(Imidazol-1-yl)ethyl]-bisphospho...) Show SMILES OP(O)(=O)C(Cn1ccnc1)P(O)(O)=O Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.03	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273716 (CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...) Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273717 (CHEMBL504429 | [2-(Imidazol-2-yl-thio)ethyl]-bisph...) Show SMILES OP(O)(=O)C(CSc1ncc[nH]1)P(O)(O)=O Show InChI InChI=1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.1	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007729 (CHEMBL3233488) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C19H23N3O5/c1-4-20-18(25)17-13-9-22(6-5-16(13)27-21-17)19(26)12-7-11(10(2)3)14(23)8-15(12)24/h7-8,10,23-24H,4-6,9H2,1-3H3,(H,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007731 (CHEMBL3233754) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCl)c3C2)c(O)cc1O Show InChI InChI=1S/C19H22ClN3O5/c1-10(2)11-7-12(15(25)8-14(11)24)19(27)23-6-3-16-13(9-23)17(22-28-16)18(26)21-5-4-20/h7-8,10,24-25H,3-6,9H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007732 (CHEMBL3233752) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCN4CCOCC4)c3C2)c(O)cc1O Show InChI InChI=1S/C23H30N4O6/c1-14(2)15-11-16(19(29)12-18(15)28)23(31)27-5-3-20-17(13-27)21(25-33-20)22(30)24-4-6-26-7-9-32-10-8-26/h11-12,14,28-29H,3-10,13H2,1-2H3,(H,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20926 (5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007733 (CHEMBL3233753) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NC4CCCC4)c3C2)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-12(2)14-9-15(18(27)10-17(14)26)22(29)25-8-7-19-16(11-25)20(24-30-19)21(28)23-13-5-3-4-6-13/h9-10,12-13,26-27H,3-8,11H2,1-2H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007734 (CHEMBL3233485) Show SMILES CCOC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C19H22N2O6/c1-4-26-19(25)17-13-9-21(6-5-16(13)27-20-17)18(24)12-7-11(10(2)3)14(22)8-15(12)23/h7-8,10,22-23H,4-6,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007735 (CHEMBL3233486) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H16ClN3O5/c1-2-18-15(23)14-9-7-20(4-3-13(9)25-19-14)16(24)8-5-10(17)12(22)6-11(8)21/h5-6,21-22H,2-4,7H2,1H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007736 (CHEMBL3233483) Show SMILES CCOC(=O)c1noc2CCN(Cc12)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H15ClN2O6/c1-2-24-16(23)14-9-7-19(4-3-13(9)25-18-14)15(22)8-5-10(17)12(21)6-11(8)20/h5-6,20-21H,2-4,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-8 using RHK(Ac)K(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-1 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Histone deacetylase 7 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-7 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-3/NCOR-2 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-11 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-5 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273718 (CHEMBL457424 | [2-(Purin-9-yl)ethyl]-bisphosphonic...) Show SMILES OP(O)(=O)C(Cn1cnc2cncnc12)P(O)(O)=O Show InChI InChI=1S/C7H10N4O6P2/c12-18(13,14)6(19(15,16)17)2-11-4-10-5-1-8-3-9-7(5)11/h1,3-4,6H,2H2,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					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
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	456	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-10 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	493	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-4 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	521	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-11 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay				ACS Med Chem Lett 5: 973-8 (2014) Article DOI: 10.1021/ml5000959 BindingDB Entry DOI: 10.7270/Q2125V70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50026643 (CHEMBL3335369) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1 Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay				ACS Med Chem Lett 5: 973-8 (2014) Article DOI: 10.1021/ml5000959 BindingDB Entry DOI: 10.7270/Q2125V70
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50273799 (CHEMBL452354 | [2-(6-Chloro-purin-9-yl)ethyl]-bisp...) Show SMILES OP(O)(=O)C(Cn1cnc2c(Cl)ncnc12)P(O)(O)=O Show InChI InChI=1S/C7H9ClN4O6P2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(19(13,14)15)20(16,17)18/h2-4H,1H2,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	883	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Ferrara Curated by ChEMBL					Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)				J Med Chem 51: 6800-7 (2008) Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	886	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-10 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50026641 (CHEMBL3335367) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C25H26N2O5/c28-22-14-21(15-23(29)16-22)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(31)26-13-3-1-2-4-24(30)27-32/h5-12,14-16,28-29,32H,1-4,13H2,(H,26,31)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay				ACS Med Chem Lett 5: 973-8 (2014) Article DOI: 10.1021/ml5000959 BindingDB Entry DOI: 10.7270/Q2125V70
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	921	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-2 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50135180 (CHEMBL3746143) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2c(C)cccc2c1NC(=O)CI Show InChI InChI=1S/C21H20INO5S/c1-11-6-5-7-13-17(23-16(24)10-22)21(29-20(11)13)18(25)12-8-14(26-2)19(28-4)15(9-12)27-3/h5-9H,10H2,1-4H3,(H,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 spectrophotometry				Eur J Med Chem 108: 39-52 (2016) Article DOI: 10.1016/j.ejmech.2015.11.022 BindingDB Entry DOI: 10.7270/Q2PN97GZ
					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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007737 (CHEMBL3233487) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C16H17N3O5/c1-2-17-15(22)14-11-8-19(6-5-13(11)24-18-14)16(23)10-4-3-9(20)7-12(10)21/h3-4,7,20-21H,2,5-6,8H2,1H3,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					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

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