Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.2 BDBM188286Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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 4C (Homo sapiens (Human))	BDBM188286 (US9073941, 605) Show SMILES COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O3/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)8-4-6-9(22-3)7-5-8/h4-7H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Fidelta Ltd. Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using methylated H3 peptide as substrate by chemiluminescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115128 BindingDB Entry DOI: 10.7270/Q2251NQM
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188286 (US9073941, 605) Show SMILES COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O3/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)8-4-6-9(22-3)7-5-8/h4-7H,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM188286 (US9073941, 605) Show SMILES COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O3/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)8-4-6-9(22-3)7-5-8/h4-7H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair