Found 373 hits with Last Name = 'heidebrecht' and Initial = 'r' 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016945
(CHEMBL3286736)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O3/c26-19-5-1-16(2-6-19)17-3-7-20(27)21(13-17)30-23(32)18-4-8-22(28-14-18)31-11-9-25(10-12-31)15-29-24(33)34-25/h1-8,13-14H,9-12,15,27H2,(H,29,33)(H,30,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016943
(CHEMBL3286734)Show SMILES Cc1csc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1 Show InChI InChI=1S/C24H25N5O3S/c1-15-10-20(33-13-15)16-2-4-18(25)19(11-16)28-22(30)17-3-5-21(26-12-17)29-8-6-24(7-9-29)14-27-23(31)32-24/h2-5,10-13H,6-9,14,25H2,1H3,(H,27,31)(H,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016944
(CHEMBL3286735)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccccc1 Show InChI InChI=1S/C25H25N5O3/c26-20-8-6-18(17-4-2-1-3-5-17)14-21(20)29-23(31)19-7-9-22(27-15-19)30-12-10-25(11-13-30)16-28-24(32)33-25/h1-9,14-15H,10-13,16,26H2,(H,28,32)(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016948
(CHEMBL3286739)Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1 Show InChI InChI=1S/C19H21N5O3/c20-14-3-1-2-4-15(14)23-17(25)13-5-6-16(21-11-13)24-9-7-19(8-10-24)12-22-18(26)27-19/h1-6,11H,7-10,12,20H2,(H,22,26)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016946
(CHEMBL3286737)Show SMILES Cn1cc(cn1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1 Show InChI InChI=1S/C23H25N7O3/c1-29-13-17(12-27-29)15-2-4-18(24)19(10-15)28-21(31)16-3-5-20(25-11-16)30-8-6-23(7-9-30)14-26-22(32)33-23/h2-5,10-13H,6-9,14,24H2,1H3,(H,26,32)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016947
(CHEMBL3286738)Show SMILES Cn1cnc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1 Show InChI InChI=1S/C23H25N7O3/c1-29-12-19(27-14-29)15-2-4-17(24)18(10-15)28-21(31)16-3-5-20(25-11-16)30-8-6-23(7-9-30)13-26-22(32)33-23/h2-5,10-12,14H,6-9,13,24H2,1H3,(H,26,32)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016942
(CHEMBL3286733)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1 Show InChI InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50016941
(CHEMBL3286732)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1 Show InChI InChI=1S/C23H23N5O3S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(30)31-23/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278466
(CHEMBL470421 | pyridin-3-ylmethyl 4-(2-amino-5-(th...)Show SMILES CP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCc1cccnc1 Show InChI InChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172774
(US9096559, 4)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccsc1 Show InChI InChI=1S/C25H22N4O3S/c26-22-8-7-20(21-9-11-33-16-21)12-23(22)29-24(30)19-5-3-17(4-6-19)14-28-25(31)32-15-18-2-1-10-27-13-18/h1-13,16H,14-15,26H2,(H,28,31)(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229193
(CHEMBL400721 | US9096559, 17 | methyl 4-((2-amino-...)Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O3S/c1-26-20(25)22-12-13-4-6-14(7-5-13)19(24)23-17-11-15(8-9-16(17)21)18-3-2-10-27-18/h2-11H,12,21H2,1H3,(H,22,25)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50016941
(CHEMBL3286732)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1 Show InChI InChI=1S/C23H23N5O3S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(30)31-23/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub... |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278467
(CHEMBL511473 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)Show SMILES CCOP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H25N2O3PS/c1-3-27-28(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-29-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25) | 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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278377
(CHEMBL472636 | methyl 4-(2-amino-5-(thiophen-2-yl)...)Show SMILES CCP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OC Show InChI InChI=1S/C21H23N2O3PS/c1-3-27(25,26-2)14-15-6-8-16(9-7-15)21(24)23-19-13-17(10-11-18(19)22)20-5-4-12-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50374057
(CHEMBL407560)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-16-5-2-13(3-6-16)19(24)22-18-10-14(4-7-17(18)20)15-8-9-25-11-15/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 18: 973-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.031 BindingDB Entry DOI: 10.7270/Q2765G5S |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 18: 973-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.031 BindingDB Entry DOI: 10.7270/Q2765G5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278515
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229204
(CHEMBL253870 | US9096559, 14b | [4-(4-amino-biphen...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-14-13-22(20-6-2-1-3-7-20)16-25(24)31-26(32)21-11-9-19(10-12-21)17-30-27(33)34-18-23-8-4-5-15-29-23/h1-16H,17-18,28H2,(H,30,33)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278420
(CHEMBL513536 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)Show SMILES CCP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172896
(US9096559, 123)Show SMILES CC(=O)N(Cc1cn(C)nn1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C24H24N6O2S/c1-16(31)30(15-20-14-29(2)28-27-20)13-17-5-7-18(8-6-17)24(32)26-22-12-19(9-10-21(22)25)23-4-3-11-33-23/h3-12,14H,13,15,25H2,1-2H3,(H,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM27762
(N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino...)Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| US Patent
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50484994
(CHEMBL2019019)Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio... |
Bioorg Med Chem Lett 22: 3203-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50484994
(CHEMBL2019019)Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio... |
Bioorg Med Chem Lett 22: 3203-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50484994
(CHEMBL2019019)Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio... |
Bioorg Med Chem Lett 22: 3203-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50484994
(CHEMBL2019019)Show SMILES O[C@@H]1CN(CC[C@]1(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF5NO4S/c23-13-1-4-15(5-2-13)34(32,33)21(16-11-14(24)3-6-17(16)25)9-10-29(12-18(21)30)19(31)20(7-8-20)22(26,27)28/h1-6,11,18,30H,7-10,12H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio... |
Bioorg Med Chem Lett 22: 3203-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.038 BindingDB Entry DOI: 10.7270/Q2D221GG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172796
(US9096559, 27)Show SMILES CC(C)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C24H25N3O2/c1-16(2)23(28)26-15-17-8-10-19(11-9-17)24(29)27-22-14-20(12-13-21(22)25)18-6-4-3-5-7-18/h3-14,16H,15,25H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172815
(US9096559, 49)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O2S/c26-21-10-9-20(23-4-2-12-32-23)14-22(21)29-25(31)19-7-5-17(6-8-19)16-28-24(30)13-18-3-1-11-27-15-18/h1-12,14-15H,13,16,26H2,(H,28,30)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM27769
(N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)m...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM27770
(N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...)Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C26H24N4O/c1-30(23-13-15-28-16-14-23)18-19-7-9-21(10-8-19)26(31)29-25-17-22(11-12-24(25)27)20-5-3-2-4-6-20/h2-17H,18,27H2,1H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229189
(CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229192
(CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...)Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229201
(CHEMBL253226 | N-(4-amino-biphenyl-3-yl)-4-(butyry...)Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(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
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229195
(CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...)Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278470
(CHEMBL513876 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)Show SMILES CC(C)P(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)C(C)C Show InChI InChI=1S/C24H29N2O2PS/c1-16(2)29(28,17(3)4)15-18-7-9-19(10-8-18)24(27)26-22-14-20(11-12-21(22)25)23-6-5-13-30-23/h5-14,16-17H,15,25H2,1-4H3,(H,26,27) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172804
(US9096559, 36)Show SMILES CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O2S/c1-13(24)22-12-14-4-6-15(7-5-14)20(25)23-18-11-16(8-9-17(18)21)19-3-2-10-26-19/h2-11H,12,21H2,1H3,(H,22,24)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172809
(US9096559, 43)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCC2)cc1)-c1cccs1 Show InChI InChI=1S/C23H23N3O2S/c24-19-11-10-18(21-5-2-12-29-21)13-20(19)26-23(28)17-8-6-15(7-9-17)14-25-22(27)16-3-1-4-16/h2,5-13,16H,1,3-4,14,24H2,(H,25,27)(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229190
(CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(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
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50016942
(CHEMBL3286733)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1 Show InChI InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub... |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229197
(CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...)Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229194
(CHEMBL251819 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O2S/c1-2-20(25)23-13-14-5-7-15(8-6-14)21(26)24-18-12-16(9-10-17(18)22)19-4-3-11-27-19/h3-12H,2,13,22H2,1H3,(H,23,25)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229200
(CHEMBL251817 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172819
(US9096559, 54)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278251
(CHEMBL471031 | diethyl 4-(2-amino-5-(thiophen-2-yl...)Show SMILES CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C22H25N2O4PS/c1-3-27-29(26,28-4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-30-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172813
(US9096559, 48)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H21N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h1-15H,16,26H2,(H,27,29)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172821
(US9096559, 56)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C26H24N4O2S/c27-22-11-10-21(24-4-2-14-33-24)15-23(22)30-26(32)20-8-5-19(6-9-20)17-29-25(31)12-7-18-3-1-13-28-16-18/h1-6,8-11,13-16H,7,12,17,27H2,(H,29,31)(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM27771
(N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...)Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM172863
(US9096559, 103)Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C26H23N3O2/c1-29(23-13-15-27-16-14-23)18-19-7-9-21(10-8-19)26(31)28-24-17-22(11-12-25(24)30)20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50229202
(CHEMBL400046 | US9096559, 10 | US9096559, 14e | [4...)Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)25-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... |
US Patent US9096559 (2015)
BindingDB Entry DOI: 10.7270/Q2K07317 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50278515
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50278308
(CHEMBL469557 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)Show SMILES CCOP(C)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H21N2O3PS/c1-3-25-26(2,24)16-9-6-14(7-10-16)20(23)22-18-13-15(8-11-17(18)21)19-5-4-12-27-19/h4-13H,3,21H2,1-2H3,(H,22,23) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 19: 2053-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ |
More data for this Ligand-Target Pair | |