Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM411374'   

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 2 (Homo sapiens (Human))	BDBM411374 (US10385031, Compound 080 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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 2 (Homo sapiens (Human))	BDBM411374 (US10385031, Compound 080 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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 2 (Homo sapiens (Human))	BDBM411374 (US10385031, Compound 080 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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									US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair