Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.3 BDBM50514699Purchase

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

Found 2 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
Deoxyhypusine synthase (Homo sapiens)	BDBM50514699 (CHEMBL4447948) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C19H20N2O/c1-19(2,3)14-9-7-13(8-10-14)18(22)21-17-6-4-5-16-15(17)11-12-20-16/h4-12,20H,1-3H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514699 (CHEMBL4447948) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C19H20N2O/c1-19(2,3)14-9-7-13(8-10-14)18(22)21-17-6-4-5-16-15(17)11-12-20-16/h4-12,20H,1-3H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction i...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair