BDBM65262 US9522888, 587

SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1

InChI Key InChIKey=ALVZDODQAUXQPT-URVUXULASA-N

Data  1 IC50  3 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 65262   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM65262(US9522888, 587)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1
Show InChI InChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
Affinity DataIC50: 10nMpH: 7.5 T: 2°CAssay 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-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM65262(US9522888, 587)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1
Show InChI InChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
Affinity DataEC50: >625nMT: 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-Gal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM65262(US9522888, 587)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1
Show InChI InChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
Affinity DataEC50: <10nMT: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM65262(US9522888, 587)
Show SMILES N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1
Show InChI InChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
Affinity DataEC50:  55nMT: 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-Gal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid