Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 9' and Ligand = 'BDBM272081'   

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))	BDBM272081 ((S)-1-(2,4-Difluorophenyl)-5-(3-fluoro-2- methylph...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1F)C(=O)NO |r| Show InChI InChI=1S/C20H16F3N3O2/c1-11-14(3-2-4-15(11)22)20(19(27)25-28)8-12-10-24-26(18(12)9-20)17-6-5-13(21)7-16(17)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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))	BDBM272081 ((S)-1-(2,4-Difluorophenyl)-5-(3-fluoro-2- methylph...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cc1F)C(=O)NO |r| Show InChI InChI=1S/C20H16F3N3O2/c1-11-14(3-2-4-15(11)22)20(19(27)25-28)8-12-10-24-26(18(12)9-20)17-6-5-13(21)7-16(17)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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