Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM411342'   

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))	BDBM411342 (US10385031, Compound 048 | US10774056, Compound 04...) Show SMILES CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C21H23N5OS/c1-25-9-11-26(12-10-25)21-23-14-19(28-21)20(27)24-18-13-16(7-8-17(18)22)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3,(H,24,27)	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))	BDBM411342 (US10385031, Compound 048 | US10774056, Compound 04...) Show SMILES CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C21H23N5OS/c1-25-9-11-26(12-10-25)21-23-14-19(28-21)20(27)24-18-13-16(7-8-17(18)22)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3,(H,24,27)	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))	BDBM411342 (US10385031, Compound 048 | US10774056, Compound 04...) Show SMILES CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C21H23N5OS/c1-25-9-11-26(12-10-25)21-23-14-19(28-21)20(27)24-18-13-16(7-8-17(18)22)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3,(H,24,27)	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