BDBM50056346 CHEMBL3322501

SMILES: OC(=O)c1ccccc1S(=O)(=O)NCCCN1C(=O)c2cccc3cccc(C1=O)c23

InChI Key: InChIKey=WEQDEKJXSVVFHB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50056346   

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))	BDBM50056346 (CHEMBL3322501) Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C22H18N2O6S/c25-20-16-9-3-6-14-7-4-10-17(19(14)16)21(26)24(20)13-5-12-23-31(29,30)18-11-2-1-8-15(18)22(27)28/h1-4,6-11,23H,5,12-13H2,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay				J Med Chem 57: 7136-40 (2014) Article DOI: 10.1021/jm5007116 BindingDB Entry DOI: 10.7270/Q22V2HS4
					More data for this Ligand-Target Pair