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Patent code US10683291

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM445593
PNG
(US10683291, Example 1)
Show SMILES FC(F)(F)c1cc(Cl)c2nc(cn2c1)-c1nc(no1)-c1cc(Cl)c(OC[C@@H]2CCC(=O)N2)cc1Cl
Show InChI InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-8-10-1-2-17(33)28-10)13(23)4-11(12)18-30-20(35-31-18)15-7-32-6-9(21(25,26)27)3-14(24)19(32)29-15/h3-7,10H,1-2,8H2,(H,28,33)/t10-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



OPPILAN PHARMA LTD.

US Patent


Assay Description
S1P1 membrane is prepared from CHO-K1 Gαqi5 cells expression full-length human S1P1. Scintillation proximity assay (SPA) is performed by incubat...


US Patent US10683291 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM445594
PNG
(US10683291, Example 5)
Show SMILES FC(F)(F)c1cc(Cl)c2nc(cn2c1)-c1nc(no1)-c1cc(Cl)c(OC2CCC(=O)NC2)cc1Cl
Show InChI InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



OPPILAN PHARMA LTD.

US Patent


Assay Description
S1P1 membrane is prepared from CHO-K1 Gαqi5 cells expression full-length human S1P1. Scintillation proximity assay (SPA) is performed by incubat...


US Patent US10683291 (2020)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM445595
PNG
(US10683291, Example 6)
Show SMILES CN1C[C@@H](CCC1=O)Oc1cc(Cl)c(cc1Cl)-c1noc(n1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
Show InChI InChI=1S/C22H15Cl3F3N5O3/c1-32-8-11(2-3-18(32)34)35-17-6-13(23)12(5-14(17)24)19-30-21(36-31-19)16-9-33-7-10(22(26,27)28)4-15(25)20(33)29-16/h4-7,9,11H,2-3,8H2,1H3/t11-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



OPPILAN PHARMA LTD.

US Patent


Assay Description
S1P1 membrane is prepared from CHO-K1 Gαqi5 cells expression full-length human S1P1. Scintillation proximity assay (SPA) is performed by incubat...


US Patent US10683291 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%