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BDBM50361896 CHEMBL1938942

SMILES: Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12

InChI Key: InChIKey=CGECRUJWSJMTLZ-UHFFFAOYSA-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 = 50361896   
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 3


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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 190n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair