BDBM50195779 CHEMBL3984953

SMILES: COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2c(C)cccc2C(O)=O)cc1

InChI Key: InChIKey=MMIKLSGTCPOTGT-UHFFFAOYSA-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 = 50195779   

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))	BDBM50195779 (CHEMBL3984953) Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2c(C)cccc2C(O)=O)cc1 Show InChI InChI=1S/C34H35NO6/c1-23-10-8-14-29(34(37)38)32(23)41-28-17-15-26(16-18-28)22-35(19-9-13-25-11-6-5-7-12-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-8,10-12,14-18,20-21H,9,13,19,22H2,1-4H3,(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...				ACS Med Chem Lett 7: 913-918 (2016) Article DOI: 10.1021/acsmedchemlett.6b00225 BindingDB Entry DOI: 10.7270/Q2X350FR
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