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BDBM50344803 5-(2,5-dichlorophenyl)-N-(4-(2-hydroxyethoxy)-2,6-dimethylphenyl)furan-2-carboxamide::CHEMBL1779905

SMILES: Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl

InChI Key: InChIKey=MHYIZVPQCSHBHD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50344803   
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 2


(Homo sapiens (Human))
BDBM50344803
PNG
(5-(2,5-dichlorophenyl)-N-(4-(2-hydroxyethoxy)-2,6-...)
Show SMILES Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H19Cl2NO4/c1-12-9-15(27-8-7-25)10-13(2)20(12)24-21(26)19-6-5-18(28-19)16-11-14(22)3-4-17(16)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,26)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


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
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50344803
PNG
(5-(2,5-dichlorophenyl)-N-(4-(2-hydroxyethoxy)-2,6-...)
Show SMILES Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H19Cl2NO4/c1-12-9-15(27-8-7-25)10-13(2)20(12)24-21(26)19-6-5-18(28-19)16-11-14(22)3-4-17(16)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,26)
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/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