Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50028498   

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 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 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 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))	BDBM50257156 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S2/c28-20(27-30)9-7-17-6-8-18(31-17)21(29)25-15-4-1-5-16(11-15)26-22-24-13-19(32-22)14-3-2-10-23-12-14/h1-13,30H,(H,24,26)(H,25,29)(H,27,28)/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	45	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))	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	52	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))	BDBM50257154 ((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C24H19N5O3S/c30-22(29-32)11-8-16-6-9-17(10-7-16)23(31)27-19-4-1-5-20(13-19)28-24-26-15-21(33-24)18-3-2-12-25-14-18/h1-15,32H,(H,26,28)(H,27,31)(H,29,30)/b11-8+	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	55	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 1 (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	77	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
Histone deacetylase 1 (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	80	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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257153 (CHEMBL521652 | N1-hydroxy-N4-(4-methyl-3-(4-(pyrid...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)NO)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30)	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	89	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))	BDBM50257118 (CHEMBL475051 | N1-hydroxy-N4-(3-(4-(pyridin-3-yl)t...) Show SMILES ONC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S/c28-20(14-6-8-15(9-7-14)21(29)27-30)25-17-4-1-5-18(11-17)26-22-24-13-19(31-22)16-3-2-10-23-12-16/h1-13,30H,(H,24,26)(H,25,28)(H,27,29)	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	91	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 1 (Homo sapiens (Human))	BDBM50257154 ((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C24H19N5O3S/c30-22(29-32)11-8-16-6-9-17(10-7-16)23(31)27-19-4-1-5-20(13-19)28-24-26-15-21(33-24)18-3-2-12-25-14-18/h1-15,32H,(H,26,28)(H,27,31)(H,29,30)/b11-8+	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	100	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
Histone deacetylase 1 (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	120	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257156 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S2/c28-20(27-30)9-7-17-6-8-18(31-17)21(29)25-15-4-1-5-16(11-15)26-22-24-13-19(32-22)14-3-2-10-23-12-14/h1-13,30H,(H,24,26)(H,25,29)(H,27,28)/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	160	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257077 (CHEMBL515432 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C29H24N6O2S/c1-18-8-13-22(15-25(18)35-29-32-17-26(38-29)21-5-4-14-31-16-21)33-27(36)19-9-11-20(12-10-19)28(37)34-24-7-3-2-6-23(24)30/h2-17H,30H2,1H3,(H,32,35)(H,33,36)(H,34,37)	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	170	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257153 (CHEMBL521652 | N1-hydroxy-N4-(4-methyl-3-(4-(pyrid...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)NO)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30)	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	170	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256927 (CHEMBL475796 | N-(2-aminophenyl)-4-((4-methyl-3-(4...) Show SMILES Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)	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	208	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257118 (CHEMBL475051 | N1-hydroxy-N4-(3-(4-(pyridin-3-yl)t...) Show SMILES ONC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S/c28-20(14-6-8-15(9-7-14)21(29)27-30)25-17-4-1-5-18(11-17)26-22-24-13-19(31-22)16-3-2-10-23-12-16/h1-13,30H,(H,24,26)(H,25,28)(H,27,29)	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	210	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257030 (CHEMBL473825 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C28H23N7O2S/c1-17-8-9-20(13-23(17)35-28-31-15-19(16-32-28)18-5-4-12-30-14-18)33-26(36)24-10-11-25(38-24)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,33,36)(H,34,37)(H,31,32,35)	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	230	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257076 (CHEMBL474015 | N1-(2-aminophenyl)-N4-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C28H22N6O2S/c29-23-8-1-2-9-24(23)34-27(36)19-12-10-18(11-13-19)26(35)32-21-6-3-7-22(15-21)33-28-31-17-25(37-28)20-5-4-14-30-16-20/h1-17H,29H2,(H,31,33)(H,32,35)(H,34,36)	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	230	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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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 1 (Homo sapiens (Human))	BDBM50256976 (CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)	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	270	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257115 (CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)	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	310	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257078 (CHEMBL474863 | N2-(2-aminophenyl)-N5-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cn1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C27H21N7O2S/c28-21-8-1-2-9-22(21)34-26(36)23-11-10-18(15-30-23)25(35)32-19-6-3-7-20(13-19)33-27-31-16-24(37-27)17-5-4-12-29-14-17/h1-16H,28H2,(H,31,33)(H,32,35)(H,34,36)	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	450	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257116 (CHEMBL474208 | N2-(2-aminophenyl)-N5-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C26H20N6O2S2/c27-19-8-1-2-9-20(19)32-25(34)22-11-10-21(35-22)24(33)30-17-6-3-7-18(13-17)31-26-29-15-23(36-26)16-5-4-12-28-14-16/h1-15H,27H2,(H,29,31)(H,30,33)(H,32,34)	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	470	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257029 (CHEMBL515258 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C29H24N8O2/c1-18-8-10-22(13-26(18)37-29-33-16-21(17-34-29)19-5-4-12-31-14-19)35-27(38)20-9-11-25(32-15-20)28(39)36-24-7-3-2-6-23(24)30/h2-17H,30H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)	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	620	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256975 ((4-(2-aminophenylcarbamoyl)benzylamino)methyl nico...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)16-9-7-15(8-10-16)12-24-14-28-21(27)17-4-3-11-23-13-17/h1-11,13,24H,12,14,22H2,(H,25,26)	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	740	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257031 (CHEMBL473826 | N1-(2-aminophenyl)-N4-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(cn2)-c2cccnc2)c1 Show InChI InChI=1S/C29H23N7O2/c30-25-8-1-2-9-26(25)36-28(38)20-12-10-19(11-13-20)27(37)34-23-6-3-7-24(15-23)35-29-32-17-22(18-33-29)21-5-4-14-31-16-21/h1-18H,30H2,(H,34,37)(H,36,38)(H,32,33,35)	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	760	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	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 PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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)
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50257031 (CHEMBL473826 | N1-(2-aminophenyl)-N4-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(cn2)-c2cccnc2)c1 Show InChI InChI=1S/C29H23N7O2/c30-25-8-1-2-9-26(25)36-28(38)20-12-10-19(11-13-20)27(37)34-23-6-3-7-24(15-23)35-29-32-17-22(18-33-29)21-5-4-14-31-16-21/h1-18H,30H2,(H,34,37)(H,36,38)(H,32,33,35)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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 1 (Homo sapiens (Human))	BDBM50257117 (CHEMBL515109 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C27H22N6O2S2/c1-16-8-9-18(13-21(16)33-27-30-15-24(37-27)17-5-4-12-29-14-17)31-25(34)22-10-11-23(36-22)26(35)32-20-7-3-2-6-19(20)28/h2-15H,28H2,1H3,(H,30,33)(H,31,34)(H,32,35)	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	1.13E+3	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	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	1.16E+3	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50257031 (CHEMBL473826 | N1-(2-aminophenyl)-N4-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(cn2)-c2cccnc2)c1 Show InChI InChI=1S/C29H23N7O2/c30-25-8-1-2-9-26(25)36-28(38)20-12-10-19(11-13-20)27(37)34-23-6-3-7-24(15-23)35-29-32-17-22(18-33-29)21-5-4-14-31-16-21/h1-18H,30H2,(H,34,37)(H,36,38)(H,32,33,35)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50256927 (CHEMBL475796 | N-(2-aminophenyl)-4-((4-methyl-3-(4...) Show SMILES Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50257153 (CHEMBL521652 | N1-hydroxy-N4-(4-methyl-3-(4-(pyrid...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)NO)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C23H19N5O3S/c1-14-4-9-18(26-21(29)15-5-7-16(8-6-15)22(30)28-31)11-19(14)27-23-25-13-20(32-23)17-3-2-10-24-12-17/h2-13,31H,1H3,(H,25,27)(H,26,29)(H,28,30)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50256976 (CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50256927 (CHEMBL475796 | N-(2-aminophenyl)-4-((4-methyl-3-(4...) Show SMILES Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50257156 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S2/c28-20(27-30)9-7-17-6-8-18(31-17)21(29)25-15-4-1-5-16(11-15)26-22-24-13-19(32-22)14-3-2-10-23-12-14/h1-13,30H,(H,24,26)(H,25,29)(H,27,28)/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50257078 (CHEMBL474863 | N2-(2-aminophenyl)-N5-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cn1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C27H21N7O2S/c28-21-8-1-2-9-22(21)34-26(36)23-11-10-18(15-30-23)25(35)32-19-6-3-7-20(13-19)33-27-31-16-24(37-27)17-5-4-12-29-14-17/h1-16H,28H2,(H,31,33)(H,32,35)(H,34,36)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50257154 ((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C24H19N5O3S/c30-22(29-32)11-8-16-6-9-17(10-7-16)23(31)27-19-4-1-5-20(13-19)28-24-26-15-21(33-24)18-3-2-12-25-14-18/h1-15,32H,(H,26,28)(H,27,31)(H,29,30)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50257117 (CHEMBL515109 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C27H22N6O2S2/c1-16-8-9-18(13-21(16)33-27-30-15-24(37-27)17-5-4-12-29-14-17)31-25(34)22-10-11-23(36-22)26(35)32-20-7-3-2-6-19(20)28/h2-15H,28H2,1H3,(H,30,33)(H,31,34)(H,32,35)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50257030 (CHEMBL473825 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C28H23N7O2S/c1-17-8-9-20(13-23(17)35-28-31-15-19(16-32-28)18-5-4-12-30-14-18)33-26(36)24-10-11-25(38-24)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,33,36)(H,34,37)(H,31,32,35)	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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50256976 (CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50256929 (CHEMBL514511 | N1-(2-aminophenyl)-N4-(3-(methyl(4-...) Show SMILES CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				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
Platelet-derived growth factor receptor beta (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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting				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
Vascular endothelial growth factor receptor 2 (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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting				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

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