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BDBM50344816 CHEMBL1779919::N-(4-(hydroxymethyl)-2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide

SMILES: Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cc(CO)cc1C

InChI Key: InChIKey=WZURXOGFFAAWHL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344816   
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 4


(Homo sapiens (Human))
BDBM50344816
PNG
(CHEMBL1779919 | N-(4-(hydroxymethyl)-2,6-dimethylp...)
Show SMILES Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cc(CO)cc1C
Show InChI InChI=1S/C19H19NO3S/c1-11-6-7-24-18(11)15-4-5-16(23-15)19(22)20-17-12(2)8-14(10-21)9-13(17)3/h4-9,21H,10H2,1-3H3,(H,20,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair