Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase KMT5B'   

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-lysine N-methyltransferase KMT5B (Homo sapiens (Human))	BDBM223981 (6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...) Show SMILES Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	25
AbbVie					Assay Description Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...				Nat Chem Biol 13: 317-324 (2017) Article DOI: 10.1038/nchembio.2282 BindingDB Entry DOI: 10.7270/Q2X065XF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase KMT5B (Homo sapiens (Human))	BDBM223980 (6,7-Dichloro-N-cyclopentylquinolin-4-amine (2)) Show SMILES Clc1cc2nccc(NC3CCCC3)c2cc1Cl Show InChI InChI=1S/C14H14Cl2N2/c15-11-7-10-13(18-9-3-1-2-4-9)5-6-17-14(10)8-12(11)16/h5-9H,1-4H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	8.0	25
AbbVie					Assay Description Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...				Nat Chem Biol 13: 317-324 (2017) Article DOI: 10.1038/nchembio.2282 BindingDB Entry DOI: 10.7270/Q2X065XF
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase KMT5B (Homo sapiens (Human))	BDBM223979 (7-Chloro-N-cyclopentylquinolin-4-amine (1)) Show SMILES Clc1ccc2c(NC3CCCC3)ccnc2c1 Show InChI InChI=1S/C14H15ClN2/c15-10-5-6-12-13(7-8-16-14(12)9-10)17-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	8.0	25
AbbVie					Assay Description Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...				Nat Chem Biol 13: 317-324 (2017) Article DOI: 10.1038/nchembio.2282 BindingDB Entry DOI: 10.7270/Q2X065XF
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase KMT5B (Homo sapiens (Human))	BDBM223982 ((6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)...) Show SMILES OC1CCN(CC1)C(=O)c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12 Show InChI InChI=1S/C19H22Cl2N4O2/c20-15-9-13-14(10-16(15)21)18(22-11-3-1-2-4-11)24-23-17(13)19(27)25-7-5-12(26)6-8-25/h9-12,26H,1-8H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	25
AbbVie					Assay Description Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...				Nat Chem Biol 13: 317-324 (2017) Article DOI: 10.1038/nchembio.2282 BindingDB Entry DOI: 10.7270/Q2X065XF
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase KMT5B (Homo sapiens (Human))	BDBM50051117 (CHEMBL3318285) Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1 Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of SUV420H1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate...				J Med Chem 57: 6822-33 (2014) Article DOI: 10.1021/jm500871s BindingDB Entry DOI: 10.7270/Q2J9681Q
					More data for this Ligand-Target Pair