Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50302053'   

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))	BDBM50302053 ((3S,6R,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C30H43N5O5S/c1-5-22(36)9-8-12-41-17-26-30(40)34-25(14-20-16-31-24-11-7-6-10-23(20)24)29(39)33-21(13-18(2)3)15-27(37)32-19(4)28(38)35-26/h6-7,10-11,16,18-19,21,25-26,31H,5,8-9,12-15,17H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,21-,25-,26-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302053 ((3S,6R,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C30H43N5O5S/c1-5-22(36)9-8-12-41-17-26-30(40)34-25(14-20-16-31-24-11-7-6-10-23(20)24)29(39)33-21(13-18(2)3)15-27(37)32-19(4)28(38)35-26/h6-7,10-11,16,18-19,21,25-26,31H,5,8-9,12-15,17H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,21-,25-,26-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair