Compile Data Set for Download or QSAR
maximum 50k data
Found 161 Enz. Inhib. hit(s) with all data for entry = 10019
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508614(8-(2-{(cyclopropylmethyl)[(4- methyl-1,3-thiazol-2...)
Affinity DataKi:  0.700nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508593(4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...)
Affinity DataKi:  0.800nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508706(US11046714, Example 140 | US11046714, Example 141)
Affinity DataKi:  0.800nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508630(US11046714, Example 72 | US11046714, Example 73)
Affinity DataKi:  0.900nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508630(US11046714, Example 72 | US11046714, Example 73)
Affinity DataKi:  0.900nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508537(8-[2-(2-cyclopropyl-6,7- dihydro[1,3]oxazolo[5,4- ...)
Affinity DataKi:  0.900nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508693(8-[(3,5-dimethyl-1H-pyrazol-1-yl) methyl]-2,2-difl...)
Affinity DataKi:  1nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508611(2,2-difluoro-8-(2-{[1- (trifluoromethyl)cyclobutyl...)
Affinity DataKi:  1nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508704(US11046714, Example 138)
Affinity DataKi:  1nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508689(2,2-difluoro-8-({[1-(trifluoromethyl) cyclobutyl]a...)
Affinity DataKi:  1.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508553(8-{2-[(2R)-4,4-difluoro-2- methylpyrrolidin-1-yl]e...)
Affinity DataKi:  1.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508599(4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...)
Affinity DataKi:  1.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508708(US11046714, Example 142 | US11046714, Example 143)
Affinity DataKi:  1.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508710((R or S)-8-[1-(3,5-difluorophenyl) piperidin-3-yl]...)
Affinity DataKi:  1.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508651(8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyr...)
Affinity DataKi:  1.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508625((R or S)-8-[2-(3,3-difluoro-2- methylpiperidin-1-y...)
Affinity DataKi:  1.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508638(2,2-difluoro-8-[(2R)-2-(2-methyl- 6,7-dihydro[1,3]...)
Affinity DataKi:  1.30nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508691(8-({(cyclopropylmethyl)[(4-methyl-1,3- thiazol-2-y...)
Affinity DataKi:  1.40nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508675(2,2-difluoro-8-[(3-fluoro-3- methylazetidin-1-yl)m...)
Affinity DataKi:  1.40nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508636(8-[(2R)-2-(5,8-dihydro-1,7- naphthyridin-7(6H)-yl)...)
Affinity DataKi:  1.40nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508678(2,2-difluoro-8-{[3-fluoro-3- (trifluoromethyl)azet...)
Affinity DataKi:  1.40nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508552(8-[2-(3,3-difluoropyrrolidin-1- yl)ethyl]-2,2-difl...)
Affinity DataKi:  1.40nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508535(2,2-difluoro-8-[2-(2-methyl-6,7- dihydro[1,3]oxazo...)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508705(US11046714, Example 139)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508587(2,2-difluoro-8-{2-[(2R)-2- methyl-4-(2-methyl-1,3-...)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508547(2,2-difluoro-8-{2-[(2R,4S)-4- fluoro-2-methylpyrro...)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508642(2,2-difluoro-8-[(2R)-2-(2-methyl- 6,7-dihydro[1,3]...)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508616(8-(2-{(cyclopropylmethyl)[(2- methyl-1,3-thiazol-5...)
Affinity DataKi:  1.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508557(8-[2-(3,3-difluoropiperidin-1- yl)ethyl]-2,2-diflu...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508551(8-{2-[(3S,4S)-3,4- difluoropyrrolidin-1-yl]ethyl}-...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508532(8-[2-(3-ethyl-5,6- dihydro[1,2,4]triazolo[4,3- a]p...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508688(2,2-difluoro-8-({[4-(trifluoromethyl) benzyl]amino...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508542(8-[2-(3-cyclopropyl-3- fluoroazetidin-1-yl)ethyl]-...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508596(4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...)
Affinity DataKi:  1.60nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508592(4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...)
Affinity DataKi:  1.70nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508683(8-[(4,4-difluoropiperidin-1-yl)methyl]- 2,2-difluo...)
Affinity DataKi:  1.70nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508536(2,2-difluoro-8-[2-(2-methyl-6,7- dihydro[1,3]thiaz...)
Affinity DataKi:  1.80nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508590(8-{2-[(2R)-4-(4-chloro-1,2,5- thiadiazol-3-yl)-2- ...)
Affinity DataKi:  1.80nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508627(US11046714, Example 69)
Affinity DataKi:  1.80nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508680(8-[(3,3-difluoropyrrolidin-1-yl)methyl]- 2,2-diflu...)
Affinity DataKi:  1.80nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508634(8-[(2R)-2-(2,3-dihydro-1H-pyrrolo [2,3-c]pyridin-1...)
Affinity DataKi:  1.80nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508703(US11046714, Example 137)
Affinity DataKi:  1.90nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508714(US11046714, Example 148)
Affinity DataKi:  2nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508676(8-[(3-ethyl-3-fluoroazetidin-1- yl)methyl]-2,2-dif...)
Affinity DataKi:  2nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508669(2,2-difluoro-8-{[(2R)-4-(4- fluorophenyl)-2-methyl...)
Affinity DataKi:  2.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508528(2,2-difluoro-8-[2-(5-fluoro-1,3- dihydro-2H-isoind...)
Affinity DataKi:  2.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508533(8-[2-(1,3-dihydro-2H- pyrrolo[3,4-c]pyridin-2- yl)...)
Affinity DataKi:  2.10nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508559(8-{2-[(2R)-4,4-difluoro-2- methylpiperidin-1-yl]et...)
Affinity DataKi:  2.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508659(US11046714, Example 97 | US11046714, Example 98)
Affinity DataKi:  2.20nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508716(US11046714, Example 150)
Affinity DataKi:  2.30nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
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