BDBM50392472 CHEMBL408217

SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=XUSDVLHKNBOGJY-FYYLOGMGSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50392472   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acid ceramidase (AC) (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of ACDase in human MCF7 cell lysate using [9,10-3H] De-C16-Cer substrate after 1 hr by scintillation counting analysis				Bioorg Med Chem 22: 6933-44 (2014) Article DOI: 10.1016/j.bmc.2014.10.025 BindingDB Entry DOI: 10.7270/Q24M964R
					More data for this Ligand-Target Pair
Acid ceramidase (AC) (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase (unknown origin)				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
Acid ceramidase (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutral ceramidase (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Humboldt Universit£t zu Berlin Curated by ChEMBL					Assay Description Inhibition of recombinant human nCDase expressed in Sf9 cells using fluorescently-labeled acyl-NBD-C12-ceramide as substrate after 2 hrs by fluoresce...				Bioorg Med Chem 20: 6162-70 (2012) Article DOI: 10.1016/j.bmc.2012.08.031 BindingDB Entry DOI: 10.7270/Q29Z960Z
					More data for this Ligand-Target Pair
Acid ceramidase (AC) (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Humboldt Universit£t zu Berlin Curated by ChEMBL					Assay Description Inhibition of aCDase				Bioorg Med Chem 20: 6162-70 (2012) Article DOI: 10.1016/j.bmc.2012.08.031 BindingDB Entry DOI: 10.7270/Q29Z960Z
					More data for this Ligand-Target Pair
Neutral ceramidase (Homo sapiens (Human))	BDBM50392472 (CHEMBL408217) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Humboldt Universit£t zu Berlin Curated by ChEMBL					Assay Description Inhibition of human recombinant neutral ceramidase using Acyl-NBD-C12-cer as substrate after 2 hrs by fluorescence assay				Bioorg Med Chem 21: 874-82 (2013) Article DOI: 10.1016/j.bmc.2012.12.014 BindingDB Entry DOI: 10.7270/Q29Z9673
					More data for this Ligand-Target Pair