Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase' and Ligand = 'BDBM50431271'   

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
Acid ceramidase (Rattus norvegicus (Rat))	BDBM50431271 (CHEMBL2333033 | US9428465, 4) Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	4.5	n/a
Fondazione Istituto Italiano Di Technologia US Patent					Assay Description r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...				US Patent US9428465 (2016) BindingDB Entry DOI: 10.7270/Q26972GB
					More data for this Ligand-Target Pair
Acid ceramidase (Rattus norvegicus (Rat))	BDBM50431271 (CHEMBL2333033 | US9428465, 4) Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat acid ceramidase				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01561 BindingDB Entry DOI: 10.7270/Q2G73JC2
					More data for this Ligand-Target Pair
Acid ceramidase (Rattus norvegicus (Rat))	BDBM50431271 (CHEMBL2333033 | US9428465, 4) Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...				J Med Chem 56: 3518-30 (2013) Article DOI: 10.1021/jm301879g BindingDB Entry DOI: 10.7270/Q27D2WH5
					More data for this Ligand-Target Pair