BDBM50150012 CHEMBL181906::{3-((Z)-(S)-Octadec-9-enoylamino)-4-[4-(pyridin-2-ylmethoxy)-phenyl]-butyl}-phosphonic acid

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

InChI Key: InChIKey=SDEQRSUOUZJCLW-HWNQJZBBSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50150012   

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))	BDBM50150012 (CHEMBL181906 | {3-((Z)-(S)-Octadec-9-enoylamino)-4...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/b10-9-/t31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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))	BDBM50150012 (CHEMBL181906 | {3-((Z)-(S)-Octadec-9-enoylamino)-4...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/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	>1.00E+4	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