Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM411360'   

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))	BDBM411360 (US10385031, Compound 066 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C19H20N4O2S/c20-15-2-1-13(14-5-10-25-12-14)11-16(15)22-19(24)17-3-4-18(26-17)23-8-6-21-7-9-23/h1-5,10-12,21H,6-9,20H2,(H,22,24)	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))	BDBM411360 (US10385031, Compound 066 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C19H20N4O2S/c20-15-2-1-13(14-5-10-25-12-14)11-16(15)22-19(24)17-3-4-18(26-17)23-8-6-21-7-9-23/h1-5,10-12,21H,6-9,20H2,(H,22,24)	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))	BDBM411360 (US10385031, Compound 066 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C19H20N4O2S/c20-15-2-1-13(14-5-10-25-12-14)11-16(15)22-19(24)17-3-4-18(26-17)23-8-6-21-7-9-23/h1-5,10-12,21H,6-9,20H2,(H,22,24)	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