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Patent code US10793529

Compile Data Set for Download or QSAR
Found 4 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
Prostacyclin receptor


(Homo sapiens (Human))		BDBM464511
PNG
(2-(((1s,4s)-4-((3-oxo-5,6-di- p-tolyl-1,2,4-triazi...)
Show SMILES Cc1ccc(cc1)-c1nn(C[C@@H]2CC[C@H](COCC(O)=O)CC2)c(=O)nc1-c1ccc(C)cc1 |r,wU:11.11,14.15,(-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;3.33,.77,;2,1.54,;-2,-.77,;-.67,-1.54,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-3.85,;-6,-3.08,)|
Show InChI InChI=1S/C27H31N3O4/c1-18-3-11-22(12-4-18)25-26(23-13-5-19(2)6-14-23)29-30(27(33)28-25)15-20-7-9-21(10-8-20)16-34-17-24(31)32/h3-6,11-14,20-21H,7-10,15-17H2,1-2H3,(H,31,32)/t20-,21+
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n/an/an/an/a 36n/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 volum...

US Patent US10793529 (2020)


BindingDB Entry DOI: 10.7270/Q2K93BMB
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))		BDBM464510
PNG
(2-(((1s,4s,)-4-((4-(3-chloro- 2-fluorophenyl)-6-ox...)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(cc2=O)-c2cccc(Cl)c2F)CC1 |r,wU:9.9,6.5,(9.34,-.77,;8,,;8,1.54,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-8,4.62,;-9.34,3.85,;-9.34,2.31,;-8,1.54,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;-5.33,-3.08,;1.33,2.31,;2.67,1.54,)|
Show InChI InChI=1S/C26H26ClFN2O4/c27-22-8-4-7-20(25(22)28)21-13-23(31)30(29-26(21)19-5-2-1-3-6-19)14-17-9-11-18(12-10-17)15-34-16-24(32)33/h1-8,13,17-18H,9-12,14-16H2,(H,32,33)/t17-,18+
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n/an/an/an/a 31n/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 volum...

US Patent US10793529 (2020)


BindingDB Entry DOI: 10.7270/Q2K93BMB
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))		BDBM464509
PNG
(2-(((1s,4s)-4-((6-(4- methoxyphenyl)-3-oxo-5- phen...)
Show SMILES COc1ccc(cc1)-c1nn(C[C@@H]2CC[C@H](COCC(O)=O)CC2)c(=O)nc1-c1ccccc1 |r,wU:12.12,15.16,(-10,4.62,;-10,3.08,;-8.67,2.31,;-7.34,3.08,;-6,2.31,;-6,.77,;-7.34,,;-8.67,.77,;-4.67,,;-3.33,.77,;-2,,;-.67,.77,;.67,,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;8.67,,;3.33,,;2,.77,;-2,-1.54,;-.67,-2.31,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-7.34,-1.54,;-8.67,-2.31,;-8.67,-3.85,;-7.34,-4.62,;-6,-3.85,)|
Show InChI InChI=1S/C26H29N3O5/c1-33-22-13-11-21(12-14-22)25-24(20-5-3-2-4-6-20)27-26(32)29(28-25)15-18-7-9-19(10-8-18)16-34-17-23(30)31/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,30,31)/t18-,19+
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n/an/an/an/a 8n/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 volum...

US Patent US10793529 (2020)


BindingDB Entry DOI: 10.7270/Q2K93BMB
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))		BDBM464512
PNG
(2-(((1s,4s)-4-((5-(3- chlorophenyl)-3-oxo-6- pheny...)
Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(nc2=O)-c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(9.34,-.77,;8,,;8,1.54,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-8,4.62,;-9.34,3.85,;-9.34,2.31,;-8,1.54,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;1.33,2.31,;2.67,1.54,)|
Show InChI InChI=1S/C25H26ClN3O4/c26-21-8-4-7-20(13-21)23-24(19-5-2-1-3-6-19)28-29(25(32)27-23)14-17-9-11-18(12-10-17)15-33-16-22(30)31/h1-8,13,17-18H,9-12,14-16H2,(H,30,31)/t17-,18+
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US Patent
n/an/an/an/a 73n/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 volum...

US Patent US10793529 (2020)


BindingDB Entry DOI: 10.7270/Q2K93BMB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%