BDBM50211654 5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)-3,3-dimethylpentanoic acid::CHEMBL246734

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

InChI Key: InChIKey=VCTGKBNGUMRKTK-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 = 50211654   

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))	BDBM50211654 (5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	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)	BDBM50211654 (5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	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