BDBM50146232 CHEMBL440696::Phosphoric acid mono-{(R)-2-((Z)-octadec-9-enoylamino)-3-[4-(pyridin-2-ylmethoxy)-phenyl]-propyl} ester

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1

InChI Key: InChIKey=XHZMTTZICDAOHN-HWNQJZBBSA-N

Data: 3 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 6 hits for monomerid = 50146232   

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))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro ability to antagonize LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 1 in HEK293T cell lines				Bioorg Med Chem Lett 14: 2735-40 (2004) Article DOI: 10.1016/j.bmcl.2004.03.076 BindingDB Entry DOI: 10.7270/Q2DF6QN9
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards Lysophosphatidic acid 1 (LPA1) receptor				Bioorg Med Chem Lett 14: 4069-74 (2004) Article DOI: 10.1016/j.bmcl.2004.05.023 BindingDB Entry DOI: 10.7270/Q2930SM1
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptor				Bioorg Med Chem Lett 14: 4069-74 (2004) Article DOI: 10.1016/j.bmcl.2004.05.023 BindingDB Entry DOI: 10.7270/Q2930SM1
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro ability to antagonize LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 1 in HEK293T cell lines				Bioorg Med Chem Lett 14: 2735-40 (2004) Article DOI: 10.1016/j.bmcl.2004.03.076 BindingDB Entry DOI: 10.7270/Q2DF6QN9
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibitory concentration against Lysophosphatidic acid 1 (LPA1) receptor				Bioorg Med Chem Lett 14: 4069-74 (2004) Article DOI: 10.1016/j.bmcl.2004.05.023 BindingDB Entry DOI: 10.7270/Q2930SM1
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50146232 (CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description In vitro antagonism of LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 3 in HEK293T cell lines				Bioorg Med Chem Lett 14: 2735-40 (2004) Article DOI: 10.1016/j.bmcl.2004.03.076 BindingDB Entry DOI: 10.7270/Q2DF6QN9
					More data for this Ligand-Target Pair