Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50000949   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 1 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 8 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 3 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 2 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 8 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 3 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 1 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	454	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 2 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	982	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 10 in human HeLa nuclear extract measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 5 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 5 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 4 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 11 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 10 in human HeLa nuclear extract measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 9 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 11 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 4 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50265845 (CHEMBL4086093) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1 |r| Show InChI InChI=1S/C19H29N3O4/c23-16-11-12-22(14-16)13-15-7-5-6-8-17(15)20-18(24)9-3-1-2-4-10-19(25)21-26/h5-8,16,23,26H,1-4,9-14H2,(H,20,24)(H,21,25)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC 9 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis				J Med Chem 60: 3484-3497 (2017) Article DOI: 10.1021/acs.jmedchem.7b00322 BindingDB Entry DOI: 10.7270/Q2ZG6VQ5
					More data for this Ligand-Target Pair