Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50043985   

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 6 (Mus musculus)	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50354088 (CHEMBL1836142) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H37N3O6S3/c1-4-14(2)21-18(27)12-20(29)32-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-33-3)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	992	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50449386 (CHEMBL3126833) Show SMILES CSCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26| Show InChI InChI=1S/C22H35N3O6S3/c1-13(2)20-17(26)11-19(28)31-14-6-4-5-8-33-34-12-16(22(30)25-20)24-21(29)15(7-9-32-3)23-18(27)10-14/h4,6,13-17,20,26H,5,7-12H2,1-3H3,(H,23,27)(H,24,29)(H,25,30)/b6-4+/t14-,15-,16-,17+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50449385 (CHEMBL3126831) Show SMILES CSCC[C@@H]1NC(=O)C[C@@H]2OC(=O)C[C@@H](O)[C@@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26| Show InChI InChI=1S/C22H35N3O6S3/c1-13(2)20-17(26)11-19(28)31-14-6-4-5-8-33-34-12-16(22(30)25-20)24-21(29)15(7-9-32-3)23-18(27)10-14/h4,6,13-17,20,26H,5,7-12H2,1-3H3,(H,23,27)(H,24,29)(H,25,30)/b6-4+/t14-,15+,16-,17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair