Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Jumonji domain-containing protein 2A (JMJD2A)'   

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 4A [1-973] (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...				ACS Chem Biol 8: 1488-96 (2013) Article DOI: 10.1021/cb400088q BindingDB Entry DOI: 10.7270/Q29Z93HF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A [1-973] (Homo sapiens (Human))	BDBM103842 (4HQ derivative 4) Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...				ACS Chem Biol 8: 1488-96 (2013) Article DOI: 10.1021/cb400088q BindingDB Entry DOI: 10.7270/Q29Z93HF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A [1-973] (Homo sapiens (Human))	BDBM103845 (4HQ derivative 8) Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...				ACS Chem Biol 8: 1488-96 (2013) Article DOI: 10.1021/cb400088q BindingDB Entry DOI: 10.7270/Q29Z93HF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A [1-973] (Homo sapiens (Human))	BDBM103844 (4HQ derivative 7) Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...				ACS Chem Biol 8: 1488-96 (2013) Article DOI: 10.1021/cb400088q BindingDB Entry DOI: 10.7270/Q29Z93HF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A [1-973] (Homo sapiens (Human))	BDBM103843 (4HQ derivative 6) Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...				ACS Chem Biol 8: 1488-96 (2013) Article DOI: 10.1021/cb400088q BindingDB Entry DOI: 10.7270/Q29Z93HF
					More data for this Ligand-Target Pair