Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50043837   

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 2 (Homo sapiens (Human))	BDBM50447010 (CHEMBL1509437) Show SMILES COc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447012 (CHEMBL1446389) Show SMILES N#CC(Nc1ccccc1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H18N2O/c22-15-20(23-18-11-5-2-6-12-18)19-13-7-8-14-21(19)24-16-17-9-3-1-4-10-17/h1-14,20,23H,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447007 (CHEMBL3116080) Show SMILES Clc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H17ClN2O/c22-18-11-5-6-12-19(18)24-20(14-23)17-10-4-7-13-21(17)25-15-16-8-2-1-3-9-16/h1-13,20,24H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447005 (CHEMBL3116082) Show SMILES Oc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H18N2O2/c22-14-19(23-18-11-5-6-12-20(18)24)17-10-4-7-13-21(17)25-15-16-8-2-1-3-9-16/h1-13,19,23-24H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447003 (CHEMBL3116084) Show SMILES N#CC(Nc1ccccc1C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H17N3O/c23-14-18-10-4-6-12-20(18)25-21(15-24)19-11-5-7-13-22(19)26-16-17-8-2-1-3-9-17/h1-13,21,25H,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447008 (CHEMBL1407857) Show SMILES Cc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C22H20N2O/c1-17-11-13-19(14-12-17)24-21(15-23)20-9-5-6-10-22(20)25-16-18-7-3-2-4-8-18/h2-14,21,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447006 (CHEMBL3116081) Show SMILES Clc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C21H17ClN2O/c22-17-10-12-18(13-11-17)24-20(14-23)19-8-4-5-9-21(19)25-15-16-6-2-1-3-7-16/h1-13,20,24H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447004 (CHEMBL3116083) Show SMILES Oc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O2/c22-14-20(23-17-10-12-18(24)13-11-17)19-8-4-5-9-21(19)25-15-16-6-2-1-3-7-16/h1-13,20,23-24H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447000 (CHEMBL3116246) Show SMILES [O-][N+](=O)c1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H17N3O3/c22-14-19(23-18-11-5-6-12-20(18)24(25)26)17-10-4-7-13-21(17)27-15-16-8-2-1-3-9-16/h1-13,19,23H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447001 (CHEMBL3116245) Show SMILES Cc1cccc(C)c1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C23H22N2O/c1-17-9-8-10-18(2)23(17)25-21(15-24)20-13-6-7-14-22(20)26-16-19-11-4-3-5-12-19/h3-14,21,25H,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50446999 (CHEMBL3116247) Show SMILES N#CC(Nc1cccnc1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C20H17N3O/c21-13-19(23-17-9-6-12-22-14-17)18-10-4-5-11-20(18)24-15-16-7-2-1-3-8-16/h1-12,14,19,23H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447014 (CHEMBL1425237) Show SMILES COc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C22H20N2O2/c1-25-19-13-11-18(12-14-19)24-21(15-23)20-9-5-6-10-22(20)26-16-17-7-3-2-4-8-17/h2-14,21,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447011 (CHEMBL3116075) Show SMILES N#CC(Nc1ccccc1)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C21H18N2O/c22-15-21(23-19-11-5-2-6-12-19)18-10-7-13-20(14-18)24-16-17-8-3-1-4-9-17/h1-14,21,23H,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447009 (CHEMBL3116079) Show SMILES Cc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H20N2O/c1-17-9-5-7-13-20(17)24-21(15-23)19-12-6-8-14-22(19)25-16-18-10-3-2-4-11-18/h2-14,21,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50446998 (CHEMBL3116248) Show SMILES N#CC(NCc1ccco1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C20H18N2O2/c21-13-19(22-14-17-9-6-12-23-17)18-10-4-5-11-20(18)24-15-16-7-2-1-3-8-16/h1-12,19,22H,14-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447013 (CHEMBL3116074) Show SMILES Oc1ccccc1C1Oc2ccccc2C(C#N)N1c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c22-14-18-16-10-5-7-13-20(16)25-21(17-11-4-6-12-19(17)24)23(18)15-8-2-1-3-9-15/h1-13,18,21,24H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447002 (CHEMBL3116085) Show SMILES NC(=O)c1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C22H19N3O2/c23-14-20(25-18-12-10-17(11-13-18)22(24)26)19-8-4-5-9-21(19)27-15-16-6-2-1-3-7-16/h1-13,20,25H,15H2,(H2,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50446997 (CHEMBL3116250) Show SMILES NC(=O)C(Nc1ccccc1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C21H20N2O2/c22-21(24)20(23-17-11-5-2-6-12-17)18-13-7-8-14-19(18)25-15-16-9-3-1-4-10-16/h1-14,20,23H,15H2,(H2,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50373123 (CHEMBL404954) Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9| Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair