Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 17 entry = 50043209   

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))	BDBM50437405 (CHEMBL2408778) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005013 (CHEMBL2408779) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCC(=O)NO Show InChI InChI=1S/C26H26ClN9O2/c27-19-11-9-17(10-12-19)24-23-25(28)29-16-30-26(23)36(32-24)20-7-5-6-18(14-20)21-15-31-34-35(21)13-4-2-1-3-8-22(37)33-38/h5-7,9-12,14-16,38H,1-4,8,13H2,(H,33,37)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005015 (CHEMBL2408780) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCCC(=O)NO Show InChI InChI=1S/C27H28ClN9O2/c28-20-12-10-18(11-13-20)25-24-26(29)30-17-31-27(24)37(33-25)21-8-6-7-19(15-21)22-16-32-35-36(22)14-5-3-1-2-4-9-23(38)34-39/h6-8,10-13,15-17,39H,1-5,9,14H2,(H,34,38)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005016 (CHEMBL2408782) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-10-8-20(9-11-22)27-26-28(31)32-17-33-29(26)39(35-27)23-6-2-5-21(14-23)24-15-34-37-38(24)16-19-4-1-3-18(13-19)7-12-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005014 (CHEMBL2408781) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-11-9-20(10-12-22)27-26-28(31)32-17-33-29(26)39(35-27)23-3-1-2-21(14-23)24-15-34-37-38(24)16-19-6-4-18(5-7-19)8-13-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair