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Patent code US10214518

Compile Data Set for Download or QSAR
Found 8 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prion protein


(Homo sapiens (Human))
BDBM357271
PNG
(2-(((1s,4s)-4-((5- (cyanomethylthio)-3,4- diphenyl...)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O3S/c28-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)29-30(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21H,11-14,16-19H2,(H,31,32)/t20-,21+
PDB
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US Patent
n/an/a 20n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM357270
PNG
(2-(((1s,4s)-4-((5- (methylthio)-4-(5- methylthioph...)
Show SMILES CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O3S2/c1-17-8-13-21(32-17)23-24(20-6-4-3-5-7-20)26-27(25(23)31-2)14-18-9-11-19(12-10-18)15-30-16-22(28)29/h3-8,13,18-19H,9-12,14-16H2,1-2H3,(H,28,29)/t18-,19+
PDB
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n/an/a 28n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM357273
PNG
(2-(((1s,4s)-4-((5-(2- hydroxyethylthio)-3,4- diphe...)
Show SMILES OCCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S/c30-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)28-29(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21,30H,11-19H2,(H,31,32)/t20-,21+
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n/an/a 70n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM357274
PNG
(2-(((1s,4s)-4-((4-(5- fluoropyridin-3-yl)-5- (meth...)
Show SMILES CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1
Show InChI InChI=1S/C25H28FN3O3S/c1-33-25-23(20-11-21(26)13-27-12-20)24(19-5-3-2-4-6-19)28-29(25)14-17-7-9-18(10-8-17)15-32-16-22(30)31/h2-6,11-13,17-18H,7-10,14-16H2,1H3,(H,30,31)/t17-,18+
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n/an/a 220n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM357271
PNG
(2-(((1s,4s)-4-((5- (cyanomethylthio)-3,4- diphenyl...)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O3S/c28-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)29-30(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21H,11-14,16-19H2,(H,31,32)/t20-,21+
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n/an/an/an/a 11n/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM357272
PNG
(2-(((1s,4s)-4-((5-(2- hydroxyethylthio)-4-(3- meth...)
Show SMILES COc1cccc(c1)-c1c(SCCO)n(C[C@@H]2CC[C@H](COCC(O)=O)CC2)nc1-c1ccccc1
Show InChI InChI=1S/C28H34N2O5S/c1-34-24-9-5-8-23(16-24)26-27(22-6-3-2-4-7-22)29-30(28(26)36-15-14-31)17-20-10-12-21(13-11-20)18-35-19-25(32)33/h2-9,16,20-21,31H,10-15,17-19H2,1H3,(H,32,33)/t20-,21+
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n/an/an/an/a 2n/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM357270
PNG
(2-(((1s,4s)-4-((5- (methylthio)-4-(5- methylthioph...)
Show SMILES CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O3S2/c1-17-8-13-21(32-17)23-24(20-6-4-3-5-7-20)26-27(25(23)31-2)14-18-9-11-19(12-10-18)15-30-16-22(28)29/h3-8,13,18-19H,9-12,14-16H2,1-2H3,(H,28,29)/t18-,19+
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n/an/an/an/a 16n/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume...


US Patent US10214518 (2019)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM357269
PNG
(2-(((1s,4s)-4-((5- (ethylthio)-4-(2-fluoro-3- meth...)
Show SMILES CCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cccc(OC)c1F
Show InChI InChI=1S/C28H33FN2O4S/c1-3-36-28-25(22-10-7-11-23(34-2)26(22)29)27(21-8-5-4-6-9-21)30-31(28)16-19-12-14-20(15-13-19)17-35-18-24(32)33/h4-11,19-20H,3,12-18H2,1-2H3,(H,32,33)/t19-,20+
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n/an/an/an/a 7n/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume...


US Patent US10214518 (2019)

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