Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM411361'   

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))	BDBM411361 (US10385031, Compound 067 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C20H21N5OS/c21-16-2-1-15(14-5-7-22-8-6-14)13-17(16)24-20(26)18-3-4-19(27-18)25-11-9-23-10-12-25/h1-8,13,23H,9-12,21H2,(H,24,26)	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))	BDBM411361 (US10385031, Compound 067 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C20H21N5OS/c21-16-2-1-15(14-5-7-22-8-6-14)13-17(16)24-20(26)18-3-4-19(27-18)25-11-9-23-10-12-25/h1-8,13,23H,9-12,21H2,(H,24,26)	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))	BDBM411361 (US10385031, Compound 067 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C20H21N5OS/c21-16-2-1-15(14-5-7-22-8-6-14)13-17(16)24-20(26)18-3-4-19(27-18)25-11-9-23-10-12-25/h1-8,13,23H,9-12,21H2,(H,24,26)	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