BDBM50177332 CHEMBL199472::potassium O-(2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate

SMILES: CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1

InChI Key: InChIKey=GPCDCYBCUTWZFV-CMDGGOBGSA-M

Data: 1 IC50  3 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 4 hits for monomerid = 50177332   

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))	BDBM50177332 (CHEMBL199472 | potassium O-(2-(heptadec-9-enyl)-1,...) Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1 Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	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 lysophospholipase D autotaxin				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50177332 (CHEMBL199472 | potassium O-(2-(heptadec-9-enyl)-1,...) Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1 Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA2 receptor in RH7777 rat hepatoma cell line				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177332 (CHEMBL199472 | potassium O-(2-(heptadec-9-enyl)-1,...) Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1 Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	639	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor in RH7777 rat hepatoma cell line				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177332 (CHEMBL199472 | potassium O-(2-(heptadec-9-enyl)-1,...) Show SMILES CCCCCCC\C=C\CCCCCCCCC1OCC(COP(O)([O-])=S)O1 Show InChI InChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	981	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA1 receptor in RH7777 rat hepatoma cell line				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair