Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50538640'   

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))	BDBM50538640 (CHEMBL4633570) Show SMILES Cc1n[nH]c(C)c1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H26N4O3/c1-15-21(16(2)27-26-15)17-5-9-19(10-6-17)24(13-3-4-14-24)23(30)25-20-11-7-18(8-12-20)22(29)28-31/h5-12,31H,3-4,13-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020) Article DOI: 10.1021/acs.jmedchem.0c00230 BindingDB Entry DOI: 10.7270/Q2J969WB
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