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BDBM50361906 CHEMBL1938951

SMILES: Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12

InChI Key: InChIKey=FRCSGXOZXJZAQP-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361906   
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))
BDBM50361906
PNG
(CHEMBL1938951)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
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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))
BDBM50361906
PNG
(CHEMBL1938951)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
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 210n/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