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BDBM50316755 (Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclopentylimino-3-phenyl-thiazolidin-4-one::CHEMBL1094834

SMILES: Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl

InChI Key: InChIKey=DGEVWFHFQKJUAY-QFGKFHJGSA-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 = 50316755   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50316755
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclope...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 347n/an/an/an/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))
BDBM50316755
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclope...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 302n/an/an/an/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