BDBM50177329 CHEMBL199380::potassium (2-(6-(4-octylphenyl)hexyl)-1,3-dioxolan-4-yl)methyl hydrogenphosphate

SMILES: CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1

InChI Key: InChIKey=WIPCJMREODOQIJ-UHFFFAOYSA-M

Data: 2 KI  3 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 5 hits for monomerid = 50177329   

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
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	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)	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	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
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.66E+3	n/a	n/a	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	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 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	504	n/a	n/a	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