BDBM50148351 CHEMBL117529::[3-((Z)-Octadec-9-enoylamino)-propionyl]-phosphonic acid

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O

InChI Key: InChIKey=BXBZKTOVFLATAM-KTKRTIGZSA-N

Data: 5 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 5 hits for monomerid = 50148351   

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 Edg-4 (Homo sapiens (Human))	BDBM50148351 (CHEMBL117529 | [3-((Z)-Octadec-9-enoylamino)-propi...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O Show InChI InChI=1S/C21H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)28(25,26)27/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)/b10-9-	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	1.09E+3	n/a	n/a	n/a	n/a
Oxford University Curated by ChEMBL					Assay Description Agonistic activity against lysophosphatidic acid receptor 2 using [35S]-GTP-gammaS as radioligand tested in vitro				Bioorg Med Chem Lett 14: 3473-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.061 BindingDB Entry DOI: 10.7270/Q2D50MDW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50148351 (CHEMBL117529 | [3-((Z)-Octadec-9-enoylamino)-propi...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O Show InChI InChI=1S/C21H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)28(25,26)27/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)/b10-9-	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	221	n/a	n/a	n/a	n/a
Oxford University Curated by ChEMBL					Assay Description Agonistic activity against lysophosphatidic acid receptor 1 using [35S]-GTP-gammaS as radioligand tested in vitro				Bioorg Med Chem Lett 14: 3473-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.061 BindingDB Entry DOI: 10.7270/Q2D50MDW
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50148351 (CHEMBL117529 | [3-((Z)-Octadec-9-enoylamino)-propi...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O Show InChI InChI=1S/C21H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)28(25,26)27/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)/b10-9-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Agonist activity at LPA2 (unknown origin) by [35S]GTPgammaS binding assay				J Med Chem 63: 2372-2390 (2020)
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50148351 (CHEMBL117529 | [3-((Z)-Octadec-9-enoylamino)-propi...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O Show InChI InChI=1S/C21H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)28(25,26)27/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)/b10-9-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	221	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Agonist activity at LPA1R (unknown origin) by [35S]GTPgammaS binding assay				J Med Chem 63: 2372-2390 (2020)
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50148351 (CHEMBL117529 | [3-((Z)-Octadec-9-enoylamino)-propi...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(=O)P(O)(O)=O Show InChI InChI=1S/C21H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)28(25,26)27/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)/b10-9-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Oxford University Curated by ChEMBL					Assay Description Agonistic activity against lysophosphatidic acid receptor 3 using [35S]-GTP-gammaS as radioligand tested in vitro				Bioorg Med Chem Lett 14: 3473-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.061 BindingDB Entry DOI: 10.7270/Q2D50MDW
					More data for this Ligand-Target Pair