BDBM50398098 CHEMBL2182023

SMILES: C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=WKODFGZRSIFURU-GOSISDBHSA-N

Data: 2 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 = 50398098   

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))	BDBM50398098 (CHEMBL2182023) Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N3O4/c1-18(22-4-3-5-24(16-22)30(31,32)33)40-28(39)35-26-25(17-34-36(26)2)21-8-6-19(7-9-21)20-10-12-23(13-11-20)29(14-15-29)27(37)38/h3-13,16-18H,14-15H2,1-2H3,(H,35,39)(H,37,38)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...				J Med Chem 55: 7920-39 (2012) Article DOI: 10.1021/jm301022v BindingDB Entry DOI: 10.7270/Q26974Q9
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50398098 (CHEMBL2182023) Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N3O4/c1-18(22-4-3-5-24(16-22)30(31,32)33)40-28(39)35-26-25(17-34-36(26)2)21-8-6-19(7-9-21)20-10-12-23(13-11-20)29(14-15-29)27(37)38/h3-13,16-18H,14-15H2,1-2H3,(H,35,39)(H,37,38)/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...				J Med Chem 55: 7920-39 (2012) Article DOI: 10.1021/jm301022v BindingDB Entry DOI: 10.7270/Q26974Q9
					More data for this Ligand-Target Pair