Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM103599'   

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))	BDBM103599 (US10201527, Compound 93 | US10736881, Compound 93 ...) Show SMILES CCn1c(CCCc2c[nH]c3ccccc23)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C23H24N4O2/c1-2-27-21-12-10-16(11-13-23(28)26-29)14-20(21)25-22(27)9-5-6-17-15-24-19-8-4-3-7-18(17)19/h3-4,7-8,10-15,24,29H,2,5-6,9H2,1H3,(H,26,28)/b13-11+	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103599 (US10201527, Compound 93 | US10736881, Compound 93 ...) Show SMILES CCn1c(CCCc2c[nH]c3ccccc23)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C23H24N4O2/c1-2-27-21-12-10-16(11-13-23(28)26-29)14-20(21)25-22(27)9-5-6-17-15-24-19-8-4-3-7-18(17)19/h3-4,7-8,10-15,24,29H,2,5-6,9H2,1H3,(H,26,28)/b13-11+	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	65	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10736881 (2020) BindingDB Entry DOI: 10.7270/Q2PN98P2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103599 (US10201527, Compound 93 | US10736881, Compound 93 ...) Show SMILES CCn1c(CCCc2c[nH]c3ccccc23)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C23H24N4O2/c1-2-27-21-12-10-16(11-13-23(28)26-29)14-20(21)25-22(27)9-5-6-17-15-24-19-8-4-3-7-18(17)19/h3-4,7-8,10-15,24,29H,2,5-6,9H2,1H3,(H,26,28)/b13-11+	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	65	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair