Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50540098'   

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))	BDBM50540098 (CHEMBL4649154) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NCc1cn(CCCCCCC(=O)NO)nn1)c3=O |r| Show InChI InChI=1S/C28H37FN8O5/c1-18-17-42-27-24-20(13-22(29)25(27)35-11-9-34(2)10-12-35)26(39)21(16-37(18)24)28(40)30-14-19-15-36(33-31-19)8-6-4-3-5-7-23(38)32-41/h13,15-16,18,41H,3-12,14,17H2,1-2H3,(H,30,40)(H,32,38)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50540098 (CHEMBL4649154) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NCc1cn(CCCCCCC(=O)NO)nn1)c3=O |r| Show InChI InChI=1S/C28H37FN8O5/c1-18-17-42-27-24-20(13-22(29)25(27)35-11-9-34(2)10-12-35)26(39)21(16-37(18)24)28(40)30-14-19-15-36(33-31-19)8-6-4-3-5-7-23(38)32-41/h13,15-16,18,41H,3-12,14,17H2,1-2H3,(H,30,40)(H,32,38)/t18-/m0/s1	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	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q
					More data for this Ligand-Target Pair