BDBM50200895 (S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-ylamino)octan-2-ylcarbamate::CHEMBL221955

SMILES: ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=UEGKDJGASMFKBQ-NRFANRHFSA-N

Data: 4 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 4 hits for monomerid = 50200895   

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 1 (Homo sapiens (Human))	BDBM50200895 ((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology					Assay Description For the enzyme assay, 10 µL of the enzyme fraction was added to 1 µL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 µL of histone deacetylase...				Bioorg Chem 59: 145-50 (2015) Article DOI: 10.1016/j.bioorg.2015.02.009 BindingDB Entry DOI: 10.7270/Q2T152C2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50200895 ((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC 1				Bioorg Med Chem Lett 17: 3969-71 (2007) Article DOI: 10.1016/j.bmcl.2007.04.089 BindingDB Entry DOI: 10.7270/Q2M908CJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (HDAC6) (Mus musculus)	BDBM50200895 ((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology					Assay Description For the enzyme assay, 10 µL of the enzyme fraction was added to 1 µL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 µL of histone deacetylase...				Bioorg Chem 59: 145-50 (2015) Article DOI: 10.1016/j.bioorg.2015.02.009 BindingDB Entry DOI: 10.7270/Q2T152C2
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50200895 ((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1	PDB MMDB 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
Kyushu Institute of Technology					Assay Description For the enzyme assay, 10 µL of the enzyme fraction was added to 1 µL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 µL of histone deacetylase...				Bioorg Chem 59: 145-50 (2015) Article DOI: 10.1016/j.bioorg.2015.02.009 BindingDB Entry DOI: 10.7270/Q2T152C2
					More data for this Ligand-Target Pair