BDBM50211646 5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)pentanoic acid::CHEMBL246527

SMILES: CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl

InChI Key: InChIKey=JXCPADMQNWAIJT-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 = 50211646   

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))	BDBM50211646 (5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...				Bioorg Med Chem Lett 17: 3736-40 (2007) Article DOI: 10.1016/j.bmcl.2007.04.024 BindingDB Entry DOI: 10.7270/Q2CZ36T2
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50211646 (5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Company Inc. Curated by ChEMBL					Assay Description Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...				Bioorg Med Chem Lett 17: 3736-40 (2007) Article DOI: 10.1016/j.bmcl.2007.04.024 BindingDB Entry DOI: 10.7270/Q2CZ36T2
					More data for this Ligand-Target Pair