Compile Data Set for Download or QSAR
Found 625 with Last Name = 'kelly' and Initial = 'mj'
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50169690(CHEMBL3806137)copy SMILEScopy InChI
Affinity DataKi:  540nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95C3KPubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145198(CHEMBL3765778)copy SMILEScopy InChI
Affinity DataKi:  1.90E+3nMAssay Description:Positive allosteric modulation of 5-HT2B receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9M4SPubMed
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145198(CHEMBL3765778)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMAssay Description:Positive allosteric modulation of platelet-activating factor receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9M4SPubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM50240277(CHEMBL4061793)copy SMILEScopy InChI
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C2514TPubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM50240278(CHEMBL4062780)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C2514TPubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621933((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)copy SMILES
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630994((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)copy SMILES
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630994((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)copy SMILES
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621932((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)copy SMILES
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621911((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)copy SMILES
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621910((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)copy SMILES
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630957((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)copy SMILES
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621824((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)copy SMILES
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621909((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)copy SMILES
Affinity DataIC50: 0.700nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621909((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)copy SMILES
Affinity DataIC50: 0.700nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621868((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(5-...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630953((S)-N-((R or S)-(3- choro-4-fluoro- phenyl)(2-(1- ...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621746(BDBM621803 | US11802122, Example 7A | US2023031252...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621868((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(5-...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630941((4S)-N-[((R or S)-5- chloro-6-cyclo- propylpyridin...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621822((S)-N-((R or S)-(3- choro-4-fluoro- phenyl)(2-(1- ...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621816((4S)-N-[((R or S)-5- chloro-6-cyclo- propylpyridin...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621746(BDBM621803 | US11802122, Example 7A | US2023031252...)copy SMILES
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621859((S)-N-((R)-(3-chloro-2,4-difluorophenyl)(6-(2,2,2-...)copy SMILES
Affinity DataIC50: 1.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM631047((S)—N—((R)-3-chloro-4-(trifluoromethoxy)...)copy SMILES
Affinity DataIC50: 1.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM631027((S)—N—((R)-(3-chloro-2,4-difluorophenyl)...)copy SMILES
Affinity DataIC50: 1.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621869((S)-N-((R)-3-chloro-4-(trifluoromethoxy)phenyl)(5-...)copy SMILES
Affinity DataIC50: 1.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621743(BDBM621800 | US11802122, Example 5A | US2023031252...)copy SMILES
Affinity DataIC50: 1.60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621743(BDBM621800 | US11802122, Example 5A | US2023031252...)copy SMILES
Affinity DataIC50: 1.60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM631055((S)—N—((R)-(3-chloro-4-(trifluoromethoxy...)copy SMILES
Affinity DataIC50: 1.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621873((S)—N—((R)-(3-chloro-4-(trifluoromethoxy...)copy SMILES
Affinity DataIC50: 1.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630925((S)—N—((R)-(3-chlorophenyl)(4-(trifluoro...)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630925((S)—N—((R)-(3-chlorophenyl)(4-(trifluoro...)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621808((S)-N-((R)-(3-chlorophenyl)(4-(trifluoromethoxy)ph...)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621809((S)-N-((R)-(3-chlorophenyl)(4-(trifluoromethoxy)ph...)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621818((4S)-N-{[(R or S)-5- chloro-6-(trifluoro- methyl)p...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621900((S)-N-((R or S)-(4- chloro-3- cyanophenyl)(4- (tri...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621900((S)-N-((R or S)-(4- chloro-3- cyanophenyl)(4- (tri...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM631035((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(2-...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630945((4S)-N-{[(R or S)-5- chloro-6-(trifluoro- methyl)p...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621863((S)-N-((R or S)-(3- chloro-2,4- difluorophenyl)(2-...)copy SMILES
Affinity DataIC50: 2.40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM631047((S)—N—((R)-3-chloro-4-(trifluoromethoxy)...)copy SMILES
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621897((S)-N-((R or S)-(5- chloro-6- (trifluoromethyl)pyr...)copy SMILES
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621870((S)—N—((R)-3-chloro-4-(trifluoromethoxy)...)copy SMILES
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM630924((S)-N-((R or S)-(5- chloro-6- (trifluoromethyl)pyr...)copy SMILES
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621796((S)-N-((R)-(5-chloro-6-(difluoromethyl)pyridin-2-y...)copy SMILES
Affinity DataIC50: 2.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621739(BDBM621797 | US11802122, Example 3A | US2023031252...)copy SMILES
Affinity DataIC50: 2.70nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621965((S)-N-((R or S)- benzo[d]thiazol-2- yl(3-chloro-4-...)copy SMILES
Affinity DataIC50: 2.90nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621965((S)-N-((R or S)- benzo[d]thiazol-2- yl(3-chloro-4-...)copy SMILES
Affinity DataIC50: 2.90nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM621877((S)-N-((R or S)-(3- chloro-2,4-difluoro- phenyl)(5...)copy SMILES
Affinity DataIC50: 3.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
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