BDBM50170862 CHEMBL191055::Octanoic acid (S)-1-methyl-2-octanoyloxy-diphosphoric acid

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

InChI Key: InChIKey=MBDSUZSCJLRKPC-QGZVFWFLSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50170862   

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 3 (LPAR3) (Homo sapiens (Human))	BDBM50170862 (CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	202	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 Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells				J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50170862 (CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+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 Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells				J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50170862 (CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	454	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 LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor				J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50170862 (CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	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 LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptor				J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N
					More data for this Ligand-Target Pair