Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50319217'   

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))	BDBM50319217 (6-[3-(4-phenylacetylamino-benzoyl)-ureido]-hexanoi...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26N4O5/c27-19(26-31)9-5-2-6-14-23-22(30)25-21(29)17-10-12-18(13-11-17)24-20(28)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-13,31H,2,5-6,9,14-15H2,(H,24,28)(H,26,27)(H2,23,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319217 (6-[3-(4-phenylacetylamino-benzoyl)-ureido]-hexanoi...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26N4O5/c27-19(26-31)9-5-2-6-14-23-22(30)25-21(29)17-10-12-18(13-11-17)24-20(28)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-13,31H,2,5-6,9,14-15H2,(H,24,28)(H,26,27)(H2,23,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair