BDBM50517246 CHEMBL4557434

SMILES: Cc1noc(c1CNC(=O)OCc1cccc(F)c1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1

InChI Key: InChIKey=NEIDHRRNILCHGY-HKUYNNGSSA-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 = 50517246   

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))	BDBM50517246 (CHEMBL4557434) Show SMILES Cc1noc(c1CNC(=O)OCc1cccc(F)c1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI InChI=1S/C25H26FN3O6/c1-15-21(13-28-25(32)33-14-16-4-2-6-18(26)10-16)23(35-29-15)22-9-8-20(12-27-22)34-19-7-3-5-17(11-19)24(30)31/h2,4,6,8-10,12,17,19H,3,5,7,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab, LLC Curated by ChEMBL					Assay Description Antagonist activity at human LPA1 expressed in CHO cells assessed as reduction in LPA-induced calcium influx incubated for 20 mins				ACS Med Chem Lett 10: 1378-1379 (2019) Article DOI: 10.1021/acsmedchemlett.9b00429
					More data for this Ligand-Target Pair