BDBM50381022 CHEMBL2017139

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC

InChI Key: InChIKey=AYKYANCQUONAPE-UHFFFAOYSA-N

Data: 1 IC50  6 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 7 hits for monomerid = 50381022   

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 6 (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	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	86	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA6 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5) (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 4 (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA4 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Lodz Curated by ChEMBL					Assay Description Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...				Bioorg Med Chem Lett 22: 2698-700 (2012) Article DOI: 10.1016/j.bmcl.2012.03.008 BindingDB Entry DOI: 10.7270/Q27P90DG
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	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	161	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA2 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA1 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50381022 (CHEMBL2017139) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(S)=O)OC Show InChI InChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Agonist activity at human LPA3 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay				Bioorg Med Chem Lett 23: 1865-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.002 BindingDB Entry DOI: 10.7270/Q2SN0B9G
					More data for this Ligand-Target Pair