Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.4 BDBM576435

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

Found 1 hit 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
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM576435 (WO2022115301, Example 21) Show SMILES CC(C)(O)C(C1CC1)N1Cc2ccc(F)c(c2C1=O)-c1ccccc1OCC(F)(F)F |(2.99,-.96,;3.76,-2.29,;5.3,-2.29,;4.53,-3.63,;2.99,-3.63,;3.76,-4.96,;3.76,-6.5,;5.1,-5.73,;1.45,-3.63,;.55,-4.87,;-.92,-4.4,;-2.25,-5.17,;-3.58,-4.4,;-3.58,-2.85,;-4.92,-2.08,;-2.25,-2.08,;-.92,-2.85,;.55,-2.38,;1.02,-.91,;-2.25,-.54,;-.92,.23,;-.92,1.77,;-2.25,2.54,;-3.58,1.77,;-3.58,.23,;-4.92,-.54,;-6.25,.23,;-7.58,-.54,;-8.92,.23,;-7.58,-2.08,;-6.25,-1.31,)| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022115301	n/a	n/a	n/a	n/a	0.910	n/a	n/a	n/a	n/a
TBA					Assay Description Using Promega’s UDP-Glo™ Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by de...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6H5S
					More data for this Ligand-Target Pair