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
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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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 | |