Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '2-hydroxyacylsphingosine 1-beta-galactosyltransferase' and Ligand = 'BDBM50561662'   

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
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561662 (CHEMBL4797076) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(O)COC(C)(C)C)CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561662 (CHEMBL4797076) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(O)COC(C)(C)C)CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair