Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 9' and Ligand = 'BDBM272140'   

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 9 (Homo sapiens (Human))	BDBM272140 (E1-(abs)-2-(1,5-Dimethyl-1H-pyrazol-4-yl)-5-(3- fl...) Show SMILES Cc1c(cnn1C)-c1nc2CC(Cc2s1)(C(=O)NO)c1cccc(F)c1C Show InChI InChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272140 (E1-(abs)-2-(1,5-Dimethyl-1H-pyrazol-4-yl)-5-(3- fl...) Show SMILES Cc1c(cnn1C)-c1nc2CC(Cc2s1)(C(=O)NO)c1cccc(F)c1C Show InChI InChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272140 (E1-(abs)-2-(1,5-Dimethyl-1H-pyrazol-4-yl)-5-(3- fl...) Show SMILES Cc1c(cnn1C)-c1nc2CC(Cc2s1)(C(=O)NO)c1cccc(F)c1C Show InChI InChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272140 (E1-(abs)-2-(1,5-Dimethyl-1H-pyrazol-4-yl)-5-(3- fl...) Show SMILES Cc1c(cnn1C)-c1nc2CC(Cc2s1)(C(=O)NO)c1cccc(F)c1C Show InChI InChI=1S/C19H19FN4O2S/c1-10-13(5-4-6-14(10)20)19(18(25)23-26)7-15-16(8-19)27-17(22-15)12-9-21-24(3)11(12)2/h4-6,9,26H,7-8H2,1-3H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair