BDBM50341839 5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylamino)-8-oxooctyl)isoxazole-3-carboxamide::CHEMBL1767043

SMILES: CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O

InChI Key: InChIKey=HFTBQKCVLFDPKD-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50341839   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	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	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC2 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair