BDBM50398114 CHEMBL2182039

SMILES: CCc1nnn(c1NC(=O)O[C@H](C)c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O

InChI Key: InChIKey=UEXYOZPSIJPBGL-LJQANCHMSA-N

Data: 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 1 hit for monomerid = 50398114   

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))	BDBM50398114 (CHEMBL2182039) Show SMILES CCc1nnn(c1NC(=O)O[C@H](C)c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r| Show InChI InChI=1S/C29H28N4O4/c1-3-25-26(30-28(36)37-19(2)20-7-5-4-6-8-20)33(32-31-25)24-15-11-22(12-16-24)21-9-13-23(14-10-21)29(17-18-29)27(34)35/h4-16,19H,3,17-18H2,1-2H3,(H,30,36)(H,34,35)/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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
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