Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM411336'   

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))	BDBM411336 (US10385031, Compound 042 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were...				US Patent US10385031 (2019) BindingDB Entry DOI: 10.7270/Q28P62WR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411336 (US10385031, Compound 042 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XD15H9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411336 (US10385031, Compound 042 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair