Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50047196   

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 4D (Homo sapiens (Human))	BDBM50153322 (CHEMBL3775612) Show SMILES OC(=O)c1ccncc1NCc1ccccc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153319 (CHEMBL3775889) Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153318 (CHEMBL3775237) Show SMILES OC(=O)c1ccncc1NCc1ccco1 Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153339 (CHEMBL3775431) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccccc1 Show InChI InChI=1S/C14H12N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-9-15-7-6-11(12)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153341 (CHEMBL3774845) Show SMILES OC(=O)c1ccncc1NC(=O)CCCc1ccccc1 Show InChI InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153340 (CHEMBL3775245) Show SMILES OC(=O)c1ccncc1NC(=O)CCc1ccccc1 Show InChI InChI=1S/C15H14N2O3/c18-14(7-6-11-4-2-1-3-5-11)17-13-10-16-9-8-12(13)15(19)20/h1-5,8-10H,6-7H2,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153344 (CHEMBL3774975) Show SMILES OC(=O)c1ccncc1NC(=O)c1ccccc1 Show InChI InChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-11-8-14-7-6-10(11)13(17)18/h1-8H,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50122002 (CHEMBL1383671) Show SMILES Nc1cnccc1C(O)=O Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153321 (CHEMBL3774435) Show SMILES Cc1ccsc1CNc1ncccc1C(O)=O Show InChI InChI=1S/C12H12N2O2S/c1-8-4-6-17-10(8)7-14-11-9(12(15)16)3-2-5-13-11/h2-6H,7H2,1H3,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153320 (CHEMBL3774615) Show SMILES OC(=O)c1cccnc1NCc1ccco1 Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-4-1-5-12-10(9)13-7-8-3-2-6-16-8/h1-6H,7H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair