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BDBM65352 US9522888, 660

SMILES: C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1

InChI Key: InChIKey=FKTSGAYZGSDVPR-VMQSOCTJNA-N

Data: 1 IC50  3 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 4 hits for monomerid = 65352   
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 1 (S1P1)


(Homo sapiens (Human))
BDBM65352
PNG
(US9522888, 660)
Show SMILES C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22-,23+/s2
PDB

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Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 3


(Homo sapiens (human))
BDBM65352
PNG
(US9522888, 660)
Show SMILES C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22-,23+/s2
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US Patent
n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay 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-Gal...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM65352
PNG
(US9522888, 660)
Show SMILES C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22-,23+/s2
PDB

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antibodypedia
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UniChem

Similars

US Patent
n/an/an/an/a 55n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM65352
PNG
(US9522888, 660)
Show SMILES C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1/C23H36NO4P/c1-2-3-4-5-6-7-18-8-9-20-15-21(11-10-19(20)14-18)22-12-13-23(24,16-22)17-28-29(25,26)27/h2-3,10-11,15,18,22H,4-9,12-14,16-17,24H2,1H3,(H2,25,26,27)/b3-2-/t18-,22-,23+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a<10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay 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-Gal...


Citation and Details
More data for this
Ligand-Target Pair