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Found 2615 with Last Name = 'caldwell' and Initial = 'j'
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202775(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50343977((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242266(US9416129, 44)
Affinity DataKi:  0.240nM ΔG°:  -55.8kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242250(US9416129, 28)
Affinity DataKi:  0.280nM ΔG°:  -55.4kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202777(3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)et...)
Affinity DataKi:  0.300nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50204794(8-(8-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50258880(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242231(US9416129, 9)
Affinity DataKi:  0.310nM ΔG°:  -55.2kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242269(US9416129, 47)
Affinity DataKi:  0.340nM ΔG°:  -54.9kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242226(US9416129, 4)
Affinity DataKi:  0.350nM ΔG°:  -54.9kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242263(US9416129, 41)
Affinity DataKi:  0.350nM ΔG°:  -54.9kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202771(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...)
Affinity DataKi:  0.400nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26946(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Affinity DataKi:  0.400nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26927(3-[2-(butylamino)ethyl]-8-[(2,6-dichlorophenyl)met...)
Affinity DataKi:  0.400nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202788(3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(f...)
Affinity DataKi:  0.400nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242268(US9416129, 46)
Affinity DataKi:  0.410nM ΔG°:  -54.5kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26942(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Affinity DataKi:  0.5nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50343976((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-N-((5-((...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26926(8-[(2,6-dichlorophenyl)methyl]-3-{2-[(2-methylprop...)
Affinity DataKi:  0.5nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26924(3-[2-(cyclobutylamino)ethyl]-8-[(2,6-dichloropheny...)
Affinity DataKi:  0.5nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26923(3-{2-[(cyclopropylmethyl)amino]ethyl}-8-[(2,6-dich...)
Affinity DataKi:  0.5nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26945(3-[2-(butylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-te...)
Affinity DataKi:  0.5nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242250(US9416129, 28)
Affinity DataKi:  0.5nM ΔG°:  -54.0kJ/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRenin(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50065428(CHEMBL3401350)
Affinity DataKi:  0.600nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26954(3-[2-(butylamino)ethyl]-8-(6-chloro-4,4-dimethyl-1...)
Affinity DataKi:  0.600nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26925(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...)
Affinity DataKi:  0.600nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242270(US9416129, 48)
Affinity DataKi:  0.630nM ΔG°:  -53.4kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202779(3-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-...)
Affinity DataKi:  0.700nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202790(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Affinity DataKi:  0.700nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26922(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...)
Affinity DataKi:  0.700nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26921(8-[(2,6-dichlorophenyl)methyl]-3-[2-(ethylamino)et...)
Affinity DataKi:  0.700nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50468037(CHEMBL4293298)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50468040(CHEMBL4289763)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26950(3-{2-[(cyclohexylmethyl)amino]ethyl}-8-(4,4-dimeth...)
Affinity DataKi:  0.700nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242229(US9416129, 7)
Affinity DataKi:  0.730nM ΔG°:  -53.0kJ/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50204769(8-(5-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Affinity DataKi:  0.800nMAssay Description:Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202769(3-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)pipera...)
Affinity DataKi:  0.800nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26920(8-[(2,6-dichlorophenyl)methyl]-3-[2-(methylamino)e...)
Affinity DataKi:  0.800nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26941(3-{2-[(cyclopropylmethyl)amino]ethyl}-8-(4,4-dimet...)
Affinity DataKi:  0.800nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342963((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Affinity DataKi:  0.860nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242270(US9416129, 48)
Affinity DataKi:  0.870nM ΔG°:  -52.6kJ/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202766(3-(2-(4-(4-fluorophenyl)piperidin-1-yl)ethyl)-8-(f...)
Affinity DataKi:  0.900nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202773(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Affinity DataKi:  0.900nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50204768(8-(7-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50202783(3-(2-(4-(5-chloropyridin-2-yl)piperazin-1-yl)ethyl...)
Affinity DataKi:  0.900nMAssay Description:Antagonist activity at human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26939(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Affinity DataKi:  0.900nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26937(3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-1,2,3...)
Affinity DataKi:  0.900nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26936(3-[2-(cyclopentylamino)ethyl]-8-(4,4-dimethyl-1,2,...)
Affinity DataKi:  0.900nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM26928(8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...)
Affinity DataKi:  1nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50398683(CHEMBL2178147)
Affinity DataKi:  1nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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