BDBM50211651 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-5-yl)benzylthio)propanoic acid::CHEMBL246928

SMILES: CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl

InChI Key: InChIKey=BZXVIJFDXYBSIG-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 = 50211651   

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))	BDBM50211651 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	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)	BDBM50211651 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...) Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	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