Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'ciossek' and Initial = 't'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252005 (2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252371 (CHEMBL520279 | Ethyl 2-oxo-2-[1-(phenyl-sulfonyl)-...) Show SMILES CCSC(=S)SCC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H15NO3S4/c1-2-21-15(20)22-11-14(17)12-8-9-16(10-12)23(18,19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252319 (CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1 Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50217137 (CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...) Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Altana Pharma AG Curated by ChEMBL					Assay Description Inhibition of HDAC1 in HeLa cells				Bioorg Med Chem Lett 17: 4746-52 (2007) Article DOI: 10.1016/j.bmcl.2007.06.063 BindingDB Entry DOI: 10.7270/Q26H4H45
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50217137 (CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...) Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332490 (5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)qu...) Show SMILES ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C26H18ClFN4O4/c27-20-12-18(5-7-23(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30-25)22-8-9-24(36-22)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332493 (5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)qu...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C26H18ClFN4O3S/c27-20-12-18(5-7-22(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30-25)23-8-9-24(36-23)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332483 (3-{5-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino...) Show SMILES ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H20ClFN4O4/c29-23-14-20(5-9-26(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-32-28)25-10-6-21(38-25)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332485 (CHEMBL1630112 | N-(2-aminophenyl)-5-(4-(3-chloro-4...) Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H23ClFN5O2S/c33-24-16-22(9-11-28(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-37-31)29-12-13-30(42-29)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB 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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332484 (CHEMBL1630111 | N-(2-aminophenyl)-5-(4-(3-chloro-4...) Show SMILES Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H23ClFN5O3/c33-24-16-22(9-11-29(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-37-31)28-12-13-30(42-28)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332493 (5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)qu...) Show SMILES ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C26H18ClFN4O3S/c27-20-12-18(5-7-22(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30-25)23-8-9-24(36-23)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332491 ((E)-3-(5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H20ClFN4O3S/c29-23-14-20(5-9-25(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-32-28)26-10-6-21(38-26)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332490 (5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)qu...) Show SMILES ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C26H18ClFN4O4/c27-20-12-18(5-7-23(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30-25)22-8-9-24(36-22)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332483 (3-{5-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino...) Show SMILES ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H20ClFN4O4/c29-23-14-20(5-9-26(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-32-28)25-10-6-21(38-25)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB 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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332489 (CHEMBL1630116 | N-(2-aminophenyl)-3-(4-(4-(3-chlor...) Show SMILES Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C36H29ClFN5O2/c37-30-20-28(14-16-34(30)45-21-24-4-3-5-27(38)18-24)42-36-29-19-26(13-15-32(29)40-22-41-36)25-11-8-23(9-12-25)10-17-35(44)43-33-7-2-1-6-31(33)39/h1-9,11-16,18-20,22H,10,17,21,39H2,(H,43,44)(H,40,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332491 ((E)-3-(5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H20ClFN4O3S/c29-23-14-20(5-9-25(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-32-28)26-10-6-21(38-26)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332485 (CHEMBL1630112 | N-(2-aminophenyl)-5-(4-(3-chloro-4...) Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H23ClFN5O2S/c33-24-16-22(9-11-28(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-37-31)29-12-13-30(42-29)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332484 (CHEMBL1630111 | N-(2-aminophenyl)-5-(4-(3-chloro-4...) Show SMILES Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H23ClFN5O3/c33-24-16-22(9-11-29(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-37-31)28-12-13-30(42-28)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332486 (CHEMBL1630113 | N-(2-aminophenyl)-3-(5-(4-(3-chlor...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C34H25ClFN5O3/c35-27-18-24(9-13-32(27)43-19-21-4-3-5-23(36)16-21)40-34-26-17-22(8-12-29(26)38-20-39-34)31-14-10-25(44-31)11-15-33(42)41-30-7-2-1-6-28(30)37/h1-18,20H,19,37H2,(H,41,42)(H,38,39,40)/b15-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332492 ((E)-3-(4-(4-(3-chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(10-12-28(26)39-17-20-2-1-3-23(32)14-20)35-30-25-15-22(9-11-27(25)33-18-34-30)21-7-4-19(5-8-21)6-13-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b13-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332487 ((E)-N-(2-aminophenyl)-3-(3-(4-(3-chloro-4-(3-fluor...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C36H27ClFN5O2/c37-30-20-28(13-15-34(30)45-21-24-6-4-8-27(38)18-24)42-36-29-19-26(12-14-32(29)40-22-41-36)25-7-3-5-23(17-25)11-16-35(44)43-33-10-2-1-9-31(33)39/h1-20,22H,21,39H2,(H,43,44)(H,40,41,42)/b16-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332489 (CHEMBL1630116 | N-(2-aminophenyl)-3-(4-(4-(3-chlor...) Show SMILES Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C36H29ClFN5O2/c37-30-20-28(14-16-34(30)45-21-24-4-3-5-27(38)18-24)42-36-29-19-26(13-15-32(29)40-22-41-36)25-11-8-23(9-12-25)10-17-35(44)43-33-7-2-1-6-31(33)39/h1-9,11-16,18-20,22H,10,17,21,39H2,(H,43,44)(H,40,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50332488 ((E)-N-(2-aminophenyl)-3-(4-(4-(3-chloro-4-(3-fluor...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C36H27ClFN5O2/c37-30-20-28(14-16-34(30)45-21-24-4-3-5-27(38)18-24)42-36-29-19-26(13-15-32(29)40-22-41-36)25-11-8-23(9-12-25)10-17-35(44)43-33-7-2-1-6-31(33)39/h1-20,22H,21,39H2,(H,43,44)(H,40,41,42)/b17-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of HER2 by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50251857 (CHEMBL481297 | N-Ethyl S-2-(4-acetamidophenyl)-2-o...) Show SMILES CCNC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C13H16N2O2S2/c1-3-14-13(18)19-8-12(17)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332492 ((E)-3-(4-(4-(3-chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(10-12-28(26)39-17-20-2-1-3-23(32)14-20)35-30-25-15-22(9-11-27(25)33-18-34-30)21-7-4-19(5-8-21)6-13-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b13-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					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	19	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 in HeLa cells				J Med Chem 50: 4405-18 (2007) Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1
					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	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252671 (2-(4-Acetamidophenyl)-2-oxoethyl dithiopropionate ...) Show SMILES CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C14H17NO2S2/c1-3-4-14(18)19-9-13(17)11-5-7-12(8-6-11)15-10(2)16/h5-8H,3-4,9H2,1-2H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332486 (CHEMBL1630113 | N-(2-aminophenyl)-3-(5-(4-(3-chlor...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C34H25ClFN5O3/c35-27-18-24(9-13-32(27)43-19-21-4-3-5-23(36)16-21)40-34-26-17-22(8-12-29(26)38-20-39-34)31-14-10-25(44-31)11-15-33(42)41-30-7-2-1-6-28(30)37/h1-18,20H,19,37H2,(H,41,42)(H,38,39,40)/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332488 ((E)-N-(2-aminophenyl)-3-(4-(4-(3-chloro-4-(3-fluor...) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C36H27ClFN5O2/c37-30-20-28(14-16-34(30)45-21-24-4-3-5-27(38)18-24)42-36-29-19-26(13-15-32(29)40-22-41-36)25-11-8-23(9-12-25)10-17-35(44)43-33-7-2-1-6-31(33)39/h1-20,22H,21,39H2,(H,43,44)(H,40,41,42)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50219425 (CHEMBL242533 | N-hydroxy-3-[3-(1H-indole-2-carbony...) Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-8-12-4-3-6-14(10-12)18(22)16-11-13-5-1-2-7-15(13)19-16/h1-11,19,23H,(H,20,21)/b9-8+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 in HeLa cells				J Med Chem 50: 4405-18 (2007) Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50219425 (CHEMBL242533 | N-hydroxy-3-[3-(1H-indole-2-carbony...) Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-8-12-4-3-6-14(10-12)18(22)16-11-13-5-1-2-7-15(13)19-16/h1-11,19,23H,(H,20,21)/b9-8+	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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8				J Med Chem 50: 4405-18 (2007) Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50332483 (3-{5-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino...) Show SMILES ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H20ClFN4O4/c29-23-14-20(5-9-26(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-32-28)25-10-6-21(38-25)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<32	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGFR by flash plate based radioactive enzyme assay				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB 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	<32	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR phopshorylation in human CAL27 cells overexpressing EGFR after 16 hrs by Western blot				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					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	33	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50332494 ((E)-3-{3-[4-(3-Chloro-4-(3-fluorobenzyloxy)phenyla...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+	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	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256928 ((E)-N-hydroxy-3-(4-((4-methyl-3-(4-(pyridin-3-yl)p...) Show SMILES Cc1ccc(NCc2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C26H24N6O2/c1-18-4-10-22(29-16-20-7-5-19(6-8-20)9-11-25(33)32-34)15-24(18)31-26-28-14-12-23(30-26)21-3-2-13-27-17-21/h2-15,17,29,34H,16H2,1H3,(H,32,33)(H,28,30,31)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of Flag tagged human recombinant HDAC3 expressed in Sf21 cells coexpressing SMRT DAD domain				J Med Chem 53: 8546-55 (2010) Article DOI: 10.1021/jm100665z BindingDB Entry DOI: 10.7270/Q2J38STX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252056 (CHEMBL519134 | Ethyl 2-oxo-2-{3-[(pyridine-3-carbo...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1 Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-3-7-14(9-12)19-16(21)13-6-4-8-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257209 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S2/c1-14-4-5-16(26-22(30)19-8-6-17(32-19)7-9-21(29)28-31)11-18(14)27-23-25-13-20(33-23)15-3-2-10-24-12-15/h2-13,31H,1H3,(H,25,27)(H,26,30)(H,28,29)/b9-7+	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	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257155 ((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...) Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+	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	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252321 (2-(5-(5-Amino-pyrid-2-yl)-thieno-2-yl)-2-oxoethyl ...) Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(N)cn1 Show InChI InChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair

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