BindingDB logo
myBDB logout

BDBM50158337 3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole::CHEMBL374614

SMILES: FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=UDLYEMLMPPYKCH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50158337   
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))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair