Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4 BDBM94728

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
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM94728 (4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine...) Show SMILES CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C22H27N3O2/c1-16(2)18-4-8-20(9-5-18)23-22(27)25-14-12-24(13-15-25)21-10-6-19(7-11-21)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in Escherichia coli BL21 (DE3) measured after 10 mins in presence of AT...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116504 BindingDB Entry DOI: 10.7270/Q2XW4PQ5
					More data for this Ligand-Target Pair
Xylosyl- and glucuronyltransferase LARGE1 (Homo sapiens (Human))	BDBM94728 (4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine...) Show SMILES CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C22H27N3O2/c1-16(2)18-4-8-20(9-5-18)23-22(27)25-14-12-24(13-15-25)21-10-6-19(7-11-21)17(3)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2VT1QQ4
					More data for this Ligand-Target Pair