Compile Data Set for Download or QSAR

Found 647 hits with Last Name = 'reddy' and Initial = 'dr'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC6 expressed in baculovirus expression system using FITC-Histone 4 acetylated peptide as substrate after 60 mins by microfluid...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 3				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136019 (9-ethoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...) Show SMILES CCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O3/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged KDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expressi...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50239022 (CHEMBL4099599) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)C2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29?,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged KDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expressi...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239022 (CHEMBL4099599) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)C2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29?,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal FLAG/His-tagged KDAC1 expressed in baculovirus expression system using substrate A after 60 mins by microf...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136018 (9-(tert-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,...) Show SMILES CC(C)(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-16-17-9-10-23-20(13-17)25-22-15-30-28(33)26(22)24-19-8-5-4-7-18(19)14-21(24)27(25)31(23)11-6-12-32/h4-5,7-10,13,32H,6,11-12,14-16H2,1-3H3,(H,30,33)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50024274 (CHEMBL2448133) Show SMILES CC[C@@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m1/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136013 (9-(sec-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,1...) Show SMILES CCC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136021 (12-(3-hydroxypropyl)-9-propoxymethyl-6,7,12,13-tet...) Show SMILES CCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-2-12-33-16-17-8-9-23-20(13-17)25-22-15-29-28(32)26(22)24-19-7-4-3-6-18(19)14-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,13,31H,2,5,10-12,14-16H2,1H3,(H,29,32)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 1				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136017 (12-(3-hydroxypropyl)-9-methoxymethyl-6,7,12,13-tet...) Show SMILES COCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H24N2O3/c1-31-14-15-7-8-21-18(11-15)23-20-13-27-26(30)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,29H,4,9-10,12-14H2,1H3,(H,27,30)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136015 (9-butoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...) Show SMILES CCCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-2-3-13-34-17-18-9-10-24-21(14-18)26-23-16-30-29(33)27(23)25-20-8-5-4-7-19(20)15-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,14,32H,2-3,6,11-13,15-17H2,1H3,(H,30,33)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136024 (3-(9-isopropoxymethyl-5-oxo-6,7,12,13-tetrahydro-5...) Show SMILES CC(C)OCc1ccc2n(CCCOC(=O)CN(C)C)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C32H35N3O4/c1-19(2)39-18-20-10-11-26-23(14-20)29-25-16-33-32(37)30(25)28-22-9-6-5-8-21(22)15-24(28)31(29)35(26)12-7-13-38-27(36)17-34(3)4/h5-6,8-11,14,19H,7,12-13,15-18H2,1-4H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50024273 (CHEMBL2112040) Show SMILES CC[C@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC1 using substrate A after 60 mins by fluorescence assay				Eur J Med Chem 127: 531-553 (2017) Article DOI: 10.1016/j.ejmech.2016.12.032 BindingDB Entry DOI: 10.7270/Q2PZ5C38
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136022 (9-ethylsulfanylmethyl-12-(3-hydroxypropyl)-6,7,12,...) Show SMILES CCSCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O2S/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136020 (9-(1-ethylpropoxymethyl)-12-(3-hydroxypropyl)-6,7,...) Show SMILES CCC(CC)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C30H32N2O3/c1-3-20(4-2)35-17-18-10-11-25-22(14-18)27-24-16-31-30(34)28(24)26-21-9-6-5-8-19(21)15-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,14,20,33H,3-4,7,12-13,15-17H2,1-2H3,(H,31,34)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136030 (12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-5H-inden...) Show SMILES OCCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136031 (9-isopropoxymethyl-6,7,12,13-tetrahydro-5H-indeno[...) Show SMILES CC(C)OCc1ccc2[nH]c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-12-14-7-8-20-17(9-14)22-19-11-26-25(28)23(19)21-16-6-4-3-5-15(16)10-18(21)24(22)27-20/h3-9,13,27H,10-12H2,1-2H3,(H,26,28)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of Proto-oncogene tyrosine-protein kinase Kit				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136028 (12-(3-hydroxypropyl)-9-isopropylsulfanylmethyl-6,7...) Show SMILES CC(C)SCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O2S/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay				Eur J Med Chem 127: 531-553 (2017) Article DOI: 10.1016/j.ejmech.2016.12.032 BindingDB Entry DOI: 10.7270/Q2PZ5C38
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164641 (CHEMBL3797843) Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50328678 (6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal FLAG/His-tagged KDAC1 expressed in baculovirus expression system using substrate A after 60 mins by microf...				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136016 (12-(3-hydroxypropyl)-9-(1-methoxyethyl)-6,7,12,13-...) Show SMILES COC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O3/c1-15(32-2)16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,15,30H,5,10-11,13-14H2,1-2H3,(H,28,31)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164518 (CHEMBL3800394) Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164531 (CHEMBL3799246) Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C22H20N2O4/c1-2-28-20-13-12-18(22(26)24-27)14-19(20)23-21(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3,(H,23,25)(H,24,26)	PDB UniProtKB/TrEMBL 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164517 (CHEMBL3798183) Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136025 (9-bromo-12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-...) Show SMILES OCCCn1c2ccc(Br)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C24H19BrN2O2/c25-14-6-7-19-16(11-14)21-18-12-26-24(29)22(18)20-15-5-2-1-4-13(15)10-17(20)23(21)27(19)8-3-9-28/h1-2,4-7,11,28H,3,8-10,12H2,(H,26,29)	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	104	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136033 (12-(3-hydroxypropyl)-5-oxo-6,7,12,13-tetrahydro-5H...) Show SMILES OCCCn1c2ccc(C=O)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C25H20N2O3/c28-9-3-8-27-20-7-6-14(13-29)10-17(20)22-19-12-26-25(30)23(19)21-16-5-2-1-4-15(16)11-18(21)24(22)27/h1-2,4-7,10,13,28H,3,8-9,11-12H2,(H,26,30)	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	105	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164519 (CHEMBL3799297) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)NO Show InChI InChI=1S/C16H16N2O5/c1-22-12-6-3-10(4-7-12)15(19)17-13-9-11(16(20)18-21)5-8-14(13)23-2/h3-9,21H,1-2H3,(H,17,19)(H,18,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136012 (12-(2-hydroxyethyl)-6,7,12,13-tetrahydro-5H-indeno...) Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C23H18N2O2/c26-10-9-25-18-8-4-3-7-15(18)20-17-12-24-23(27)21(17)19-14-6-2-1-5-13(14)11-16(19)22(20)25/h1-8,26H,9-12H2,(H,24,27)	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	107	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM14177 (3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...) Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21 Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)18-13-7-3-4-8-16(13)23-20(18)14-9-11-5-1-2-6-12(11)17(14)19/h1-8,23H,9-10H2,(H,22,24)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136010 (9-(1-hydroxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-...) Show SMILES CC(O)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H24N2O3/c1-14(30)15-7-8-21-18(11-15)23-20-13-27-26(31)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,14,29-30H,4,9-10,12-13H2,1H3,(H,27,31)	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	111	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164538 (CHEMBL3797597) Show SMILES Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164522 (CHEMBL3797442) Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)NO Show InChI InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164515 (CHEMBL3798028) Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C16H16N2O4/c1-2-22-14-9-8-12(16(20)18-21)10-13(14)17-15(19)11-6-4-3-5-7-11/h3-10,21H,2H2,1H3,(H,17,19)(H,18,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC6 using FITC-labeled histone H4 acetylated peptide as substrate after 60 mins by fluorescence assay				Eur J Med Chem 127: 531-553 (2017) Article DOI: 10.1016/j.ejmech.2016.12.032 BindingDB Entry DOI: 10.7270/Q2PZ5C38
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136029 (9-(1-butoxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-t...) Show SMILES CCCCOC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C30H32N2O3/c1-3-4-14-35-18(2)19-10-11-25-22(15-19)27-24-17-31-30(34)28(24)26-21-9-6-5-8-20(21)16-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,15,18,33H,3-4,7,12-14,16-17H2,1-2H3,(H,31,34)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164520 (CHEMBL3798503) Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-4-10(15(20)18-21)8-12(13)17-14(19)9-2-5-11(16)6-3-9/h2-8,21H,1H3,(H,17,19)(H,18,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164525 (CHEMBL3797455) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(=O)NO Show InChI InChI=1S/C15H13ClN2O4/c1-22-11-5-2-9(3-6-11)14(19)17-13-8-10(15(20)18-21)4-7-12(13)16/h2-8,21H,1H3,(H,17,19)(H,18,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164513 (CHEMBL3800411) Show SMILES ONC(=O)c1ccc(Br)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11BrN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50136008 (12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...) Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of Fibroblast growth factor receptor 1				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50136023 (9-methyl-12-(3-hydroxypropyl)-6,7,12,13-tetrahydro...) Show SMILES Cc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H22N2O2/c1-14-7-8-20-17(11-14)22-19-13-26-25(29)23(19)21-16-6-3-2-5-15(16)12-18(21)24(22)27(20)9-4-10-28/h2-3,5-8,11,28H,4,9-10,12-13H2,1H3,(H,26,29)	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	163	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of human Vascular endothelial growth factor receptor 2				J Med Chem 46: 5375-88 (2003) Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164597 (CHEMBL3798925) Show SMILES ONC(=O)c1ccc(F)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11FN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50233043 (CHEMBL4084736) Show SMILES ONC(=O)CCCCN1c2ccccc2C(=N[C@H](CS)C1=O)c1ccccc1 |r,c:16| Show InChI InChI=1S/C21H23N3O3S/c25-19(23-27)12-6-7-13-24-18-11-5-4-10-16(18)20(15-8-2-1-3-9-15)22-17(14-28)21(24)26/h1-5,8-11,17,27-28H,6-7,12-14H2,(H,23,25)/t17-/m1/s1	PDB 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	180	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay				Eur J Med Chem 127: 531-553 (2017) Article DOI: 10.1016/j.ejmech.2016.12.032 BindingDB Entry DOI: 10.7270/Q2PZ5C38
					More data for this Ligand-Target Pair

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