BDBM50316733 (Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-dimethoxy-phenyl)-2-isopropylimino-thiazolidin-4-one::CHEMBL1094246

SMILES: COc1ccc(N2\C(S\C(=C/c3ccc(O)c(Cl)c3)C2=O)=N\C(C)C)c(OC)c1

InChI Key: InChIKey=XXYUPOPISQEQJN-RZLLDZTLSA-N

Data: 2 EC50

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 = 50316733   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50316733 ((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...) Show SMILES COc1ccc(N2\C(S\C(=C/c3ccc(O)c(Cl)c3)C2=O)=N\C(C)C)c(OC)c1 Show InChI InChI=1S/C21H21ClN2O4S/c1-12(2)23-21-24(16-7-6-14(27-3)11-18(16)28-4)20(26)19(29-21)10-13-5-8-17(25)15(22)9-13/h5-12,25H,1-4H3/b19-10-,23-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	875	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay				J Med Chem 53: 4198-211 (2010) Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50316733 ((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...) Show SMILES COc1ccc(N2\C(S\C(=C/c3ccc(O)c(Cl)c3)C2=O)=N\C(C)C)c(OC)c1 Show InChI InChI=1S/C21H21ClN2O4S/c1-12(2)23-21-24(16-7-6-14(27-3)11-18(16)28-4)20(26)19(29-21)10-13-5-8-17(25)15(22)9-13/h5-12,25H,1-4H3/b19-10-,23-21-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	525	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay				J Med Chem 53: 4198-211 (2010) Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ
					More data for this Ligand-Target Pair