BDBM50193518 3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosphonothioate::CHEMBL211465

SMILES: CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1

InChI Key: InChIKey=HGTUZBIEGDZLRZ-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50193518   

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 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50193518 (3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1 Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	799	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay				J Med Chem 49: 5309-15 (2006) Article DOI: 10.1021/jm060351+ BindingDB Entry DOI: 10.7270/Q2VM4BWW
					More data for this Ligand-Target Pair