Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ceramide glucosyltransferase' and Ligand = 'BDBM367654'   

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))	BDBM367654 (N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...) Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12| Show InChI InChI=1S/C31H32FN3O3/c32-24-7-2-20(3-8-24)22-6-13-27-23(18-22)14-15-33-29(27)31(37)34-28(19-35-16-1-17-35)30(36)21-4-9-25(10-5-21)38-26-11-12-26/h2-10,13,18,26,28,30,36H,1,11-12,14-17,19H2,(H,34,37)/t28-,30-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Protein concentration was determined using BCA assay kit. Sixty micrograms of MDCK cell lysate was incubated with various concentrations of a compoun...				US Patent US10759769 (2020) BindingDB Entry DOI: 10.7270/Q2GT5R8T
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM367654 (N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...) Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12| Show InChI InChI=1S/C31H32FN3O3/c32-24-7-2-20(3-8-24)22-6-13-27-23(18-22)14-15-33-29(27)31(37)34-28(19-35-16-1-17-35)30(36)21-4-9-25(10-5-21)38-26-11-12-26/h2-10,13,18,26,28,30,36H,1,11-12,14-17,19H2,(H,34,37)/t28-,30-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...				J Med Chem 51: 1319-23 (2008) BindingDB Entry DOI: 10.7270/Q2G44SK0
					More data for this Ligand-Target Pair