BDBM197656 US9216972, 14

SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1onc-2c1CCc1cc(CN3CC(C3)C(O)=O)ccc-21

InChI Key InChIKey=HRHUVEIJQFCGRJ-UHFFFAOYSA-N

Data  1 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 197656   

TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM197656(US9216972, 14)
Affinity DataEC50:  1.5nMAssay Description:Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM197656(US9216972, 14)
Affinity DataIC50: 6.70nMpH: 7.5Assay Description:Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2016
Entry Details
US Patent

TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM197656(US9216972, 14)
Affinity DataEC50:  11nMT: 2°CAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2016
Entry Details
US Patent

TargetSphingosine 1-phosphate receptor 3(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM197656(US9216972, 14)
Affinity DataEC50:  2.60E+4nMAssay Description:Agonist activity at human S1P3 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM197656(US9216972, 14)
Affinity DataEC50: >3.10E+4nMT: 2°CAssay Description:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2016
Entry Details
US Patent