Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 53   

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))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM112876 (US9695181, IIb) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1 Show InChI InChI=1S/C27H31FN8O3/c1-17-8-13-20(28)21(15-17)33-27(38)32-19-11-9-18(10-12-19)24-23-25(29)30-16-31-26(23)36(34-24)14-6-4-2-3-5-7-22(37)35-39/h8-13,15-16,39H,2-7,14H2,1H3,(H,35,37)(H2,29,30,31)(H2,32,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM112653 (US9695181, IIa) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1 Show InChI InChI=1S/C27H32N8O3/c1-18-8-7-9-21(16-18)32-27(37)31-20-13-11-19(12-14-20)24-23-25(28)29-17-30-26(23)35(33-24)15-6-4-2-3-5-10-22(36)34-38/h7-9,11-14,16-17,38H,2-6,10,15H2,1H3,(H,34,36)(H2,28,29,30)(H2,31,32,37)	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	1.09	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM112878 (US9695181, IIc) Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C27H32FN9O3/c1-17-6-11-20(28)21(15-17)33-27(39)32-19-9-7-18(8-10-19)24-23-25(29)30-16-31-26(23)37(34-24)14-4-13-36(2)12-3-5-22(38)35-40/h6-11,15-16,40H,3-5,12-14H2,1-2H3,(H,35,38)(H2,29,30,31)(H2,32,33,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.65	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM112879 (US9695181, IId) Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C27H33N9O3/c1-18-6-3-7-21(16-18)32-27(38)31-20-11-9-19(10-12-20)24-23-25(28)29-17-30-26(23)36(33-24)15-5-14-35(2)13-4-8-22(37)34-39/h3,6-7,9-12,16-17,39H,4-5,8,13-15H2,1-2H3,(H,34,37)(H2,28,29,30)(H2,31,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	20
DOUBLE RIDER MEDICINE CO., LTD. US Patent					Assay Description Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...				US Patent US9695181 (2017) BindingDB Entry DOI: 10.7270/Q2RX9971
					More data for this Ligand-Target Pair