Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ceramide glucosyltransferase' and Ligand = 'BDBM367629'   

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))	BDBM367629 (7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:13| Show InChI InChI=1S/C29H30ClN3O4S/c30-26-12-11-25(38-26)19-5-10-23-20(15-19)17-36-32-27(23)29(35)31-24(16-33-13-1-2-14-33)28(34)18-3-6-21(7-4-18)37-22-8-9-22/h3-7,10-12,15,22,24,28,34H,1-2,8-9,13-14,16-17H2,(H,31,35)/t24-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM367629 (7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:13| Show InChI InChI=1S/C29H30ClN3O4S/c30-26-12-11-25(38-26)19-5-10-23-20(15-19)17-36-32-27(23)29(35)31-24(16-33-13-1-2-14-33)28(34)18-3-6-21(7-4-18)37-22-8-9-22/h3-7,10-12,15,22,24,28,34H,1-2,8-9,13-14,16-17H2,(H,31,35)/t24-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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