Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylcholine:ceramide cholinephosphotransferase 1' and Ligand = 'BDBM50182491'   

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
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Mus musculus)	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 in MEF cells using C6-NBD-ceramide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by HP...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair