BDBM251671 US10100018, Example 7::US9464060, 7

SMILES: COC1CC(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)C1

InChI Key: InChIKey=MEBSTCAWUQVIOV-UHFFFAOYSA-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 = 251671   

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))	BDBM251671 (US10100018, Example 7 | US9464060, 7) Show SMILES COC1CC(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)C1 |(4.67,6.48,;3.33,5.71,;3.33,4.17,;4.42,3.08,;3.33,1.99,;3.33,.45,;2,-.32,;2,-1.86,;3.33,-2.63,;3.33,-4.17,;4.67,-4.94,;6,-4.17,;6,-2.63,;4.67,-1.86,;7.34,-4.94,;7.34,-6.48,;8.67,-4.17,;.67,.45,;.67,1.99,;-.67,-.32,;-.67,-1.86,;-2,-2.63,;-3.33,-1.86,;-4.67,-2.63,;-6,-1.86,;-6,-.32,;-7.34,.45,;-8.67,-.32,;-8.67,-1.86,;-7.34,-2.63,;-7.34,-4.17,;-3.33,-.32,;-2,.45,;2.25,3.08,)| Show InChI InChI=1S/C27H26FNO5/c1-33-23-14-19(15-23)17-29(16-18-6-8-21(9-7-18)27(31)32)26(30)20-10-12-22(13-11-20)34-25-5-3-2-4-24(25)28/h2-13,19,23H,14-17H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium i...				US Patent US10100018 (2018) BindingDB Entry DOI: 10.7270/Q2PR7Z0N
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5) (Homo sapiens (Human))	BDBM251671 (US10100018, Example 7 | US9464060, 7) Show SMILES COC1CC(CN(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Oc3ccccc3F)cc2)C1 |(4.67,6.48,;3.33,5.71,;3.33,4.17,;4.42,3.08,;3.33,1.99,;3.33,.45,;2,-.32,;2,-1.86,;3.33,-2.63,;3.33,-4.17,;4.67,-4.94,;6,-4.17,;6,-2.63,;4.67,-1.86,;7.34,-4.94,;7.34,-6.48,;8.67,-4.17,;.67,.45,;.67,1.99,;-.67,-.32,;-.67,-1.86,;-2,-2.63,;-3.33,-1.86,;-4.67,-2.63,;-6,-1.86,;-6,-.32,;-7.34,.45,;-8.67,-.32,;-8.67,-1.86,;-7.34,-2.63,;-7.34,-4.17,;-3.33,-.32,;-2,.45,;2.25,3.08,)| Show InChI InChI=1S/C27H26FNO5/c1-33-23-14-19(15-23)17-29(16-18-6-8-21(9-7-18)27(31)32)26(30)20-10-12-22(13-11-20)34-25-5-3-2-4-24(25)28/h2-13,19,23H,14-17H2,1H3,(H,31,32)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceutical Company Limited US Patent					Assay Description Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into ...				US Patent US9464060 (2016) BindingDB Entry DOI: 10.7270/Q23R0RT0
					More data for this Ligand-Target Pair