Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50047375   

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
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Probable JmjC domain-containing histone demethylation protein 2C (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM3C (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163393 (CHEMBL3793435) Show SMILES Oc1ccccc1\C=N\Nc1ncc(F)c(n1)N1CCOCC1 Show InChI InChI=1S/C15H16FN5O2/c16-12-10-17-15(19-14(12)21-5-7-23-8-6-21)20-18-9-11-3-1-2-4-13(11)22/h1-4,9-10,22H,5-8H2,(H,17,19,20)/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50343530 (5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...) Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163387 (CHEMBL3794377) Show SMILES Oc1cc(OCC(=O)OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C24H18O6/c25-19-11-18(28-15-23(27)29-14-16-7-3-1-4-8-16)12-22-24(19)20(26)13-21(30-22)17-9-5-2-6-10-17/h1-13,25H,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163392 (CHEMBL1808018) Show SMILES Cc1ccc(cc1)C(=O)c1coc2C=C(Br)C(=O)C(=O)c12 |t:14| Show InChI InChI=1S/C16H9BrO4/c1-8-2-4-9(5-3-8)14(18)10-7-21-12-6-11(17)15(19)16(20)13(10)12/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163390 (CHEMBL3793690) Show SMILES O=C(NNc1c2ccccc2nc2ccccc12)c1ccccn1 Show InChI InChI=1S/C19H14N4O/c24-19(17-11-5-6-12-20-17)23-22-18-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)18/h1-12H,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50320734 (4-Hydroxy-benzoic acid hydrazide | 4-hydroxybenzoh...) Show SMILES NNC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163411 (CHEMBL3793443) Show SMILES Clc1ccc(cc1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O Show InChI InChI=1S/C21H11ClN2O3/c22-11-5-7-12(8-6-11)24-21(27)16-10-9-15-17(18(16)23-24)20(26)14-4-2-1-3-13(14)19(15)25/h1-10,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50318639 (6-hydroxy-1-methoxy-9H-xanthen-9-one | CHEMBL10842...) Show SMILES COc1cccc2oc3cc(O)ccc3c(=O)c12 Show InChI InChI=1S/C14H10O4/c1-17-10-3-2-4-11-13(10)14(16)9-6-5-8(15)7-12(9)18-11/h2-7,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM34463 (3-(phenylmethyl)-6-(2-pyridinyl)-[1,2,4]triazolo[3...) Show SMILES C(c1nnc2sc(nn12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-17-18-15-20(13)19-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163430 (CHEMBL3792463) Show SMILES Oc1ccc(O)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C13H8O4/c14-8-5-6-9(15)13-11(8)12(16)7-3-1-2-4-10(7)17-13/h1-6,14-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163388 (CHEMBL3793686) Show SMILES CNc1ccccc(C(=O)\C=C\c2cccc(Oc3ccccc3)c2)c1=O Show InChI InChI=1S/C23H19NO3/c1-24-21-13-6-5-12-20(23(21)26)22(25)15-14-17-8-7-11-19(16-17)27-18-9-3-2-4-10-18/h2-16H,1H3,(H,24,26)/b15-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163436 (CHEMBL3793454) Show SMILES CCN(C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1C)c1ccccc1 |c:3| Show InChI InChI=1S/C20H19ClN2O2/c1-4-22(15-10-6-5-7-11-15)18-17(21)19(24)23(20(18)25)16-12-8-9-13(2)14(16)3/h5-12H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair