BDBM50176399 CHEMBL202242::octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy-propyl ester

SMILES: CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC

InChI Key: InChIKey=CUXSKJSPPDINEH-KRWDZBQOSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50176399   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50176399 (CHEMBL202242 | octanoic acid (S)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant ATX from transfected HEK293 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50176399 (CHEMBL202242 | octanoic acid (S)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50176399 (CHEMBL202242 | octanoic acid (S)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.17E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA2 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair