BDBM50100341 (2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl-hexadeca-2,4,6,12-tetraenoic acid [(S)-1-hydroxymethyl-2-((1S,2S,6S)-2-hydroxy-3-oxo-7-oxa-bicyclo[4.1.0]hept-4-en-2-yl)-ethyl]-amide::CHEMBL418376

SMILES: CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O

InChI Key: InChIKey=KSIWZCYBCSQXTA-JPOQAJQISA-N

Data: 4 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 4 hits for monomerid = 50100341   

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
Neutral sphingomyelinase (Rattus norvegicus)	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory concentration against neutral sphingomyelinase (N-Smase) from rat brain microsomes				Bioorg Med Chem Lett 11: 1277-80 (2001) BindingDB Entry DOI: 10.7270/Q2B56J1S
					More data for this Ligand-Target Pair
Neutral sphingomyelinase (Rattus norvegicus)	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source				Bioorg Med Chem Lett 13: 1963-6 (2003) BindingDB Entry DOI: 10.7270/Q2KD1ZFT
					More data for this Ligand-Target Pair
Neutral sphingomyelinase (Homo sapiens (Human))	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Neutral sphingomyelinase (Rattus norvegicus)	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory concentration against lysosomal neutral sphingomyelinase (N-Smase)				Bioorg Med Chem Lett 11: 1277-80 (2001) BindingDB Entry DOI: 10.7270/Q2B56J1S
					More data for this Ligand-Target Pair