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TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13543(3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...)
Affinity DataKi:  3.23nM IC50:  3.25nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
University Of Leipzig

Curated by ChEMBL
LigandPNGBDBM50244756(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Affinity DataKi:  28nMAssay Description:Inhibition of human leukocyte elastaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234353(2,3,8,9,10,11-Hexahydro-benzothieno[3,2-e]imidazo[...)
Affinity DataKi:  1.32E+3nM ΔG°:  -33.6kJ/mole IC50:  1.75E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234356(10-Benzyl-3,4,9,10,11,12-hexahydro-2H-pyrido[4R...)
Affinity DataKi:  1.50E+3nM ΔG°:  -33.2kJ/mole IC50:  1.73E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234351(8-Benzyl-2,3,6,7,8,9-hexahydro-imidazo[1,2-a]pyrid...)
Affinity DataKi:  1.55E+3nM ΔG°:  -33.2kJ/mole IC50:  1.35E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234354(3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...)
Affinity DataKi:  1.92E+3nM ΔG°:  -32.6kJ/mole IC50:  2.26E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234352(9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4&#...)
Affinity DataKi:  2.07E+3nM ΔG°:  -32.4kJ/mole IC50:  1.51E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM234355(9-Benzyl-2,3,8,9,10,11-hexahydro-imidazo[1,2-c]pyr...)
Affinity DataKi:  2.36E+3nM ΔG°:  -32.1kJ/mole IC50:  3.09E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetN-acetylglucosamine-1-phosphotransferase subunits alpha/beta(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM518926(N-cyclohexyl-N-ethyl-3-(2-(trans-4-ethylcyclohexyl...)
Affinity DataIC50:  0nMAssay Description:The TarO biochemical enzymatic assay is a liquid chromatography-mass spectroscopy (LC-MS) based end point assay that measures C55-P-P-GlcNAc (LIPID I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetN-acetylglucosamine-1-phosphotransferase subunits alpha/beta(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM519420((4S,5R)-5-[3-chloro-5- (trifluoromethyl)phenyl]- 4...)
Affinity DataIC50:  0nMAssay Description:The TarO biochemical enzymatic assay is a liquid chromatography-mass spectroscopy (LC-MS) based end point assay that measures C55-P-P-GlcNAc (LIPID I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13549(3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...)
Affinity DataIC50:  0.139nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13550(3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...)
Affinity DataIC50:  0.141nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13548(3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...)
Affinity DataIC50:  0.226nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13543(3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  0.293nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082445(CHEMBL3422978)
Affinity DataIC50:  0.390nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13542(3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  0.523nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082380(CHEMBL3422952)
Affinity DataIC50:  0.730nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082429(CHEMBL3422970)
Affinity DataIC50:  0.870nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 5 member 4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342885((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Affinity DataIC50:  0.877nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 5 member 4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342887((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Affinity DataIC50:  0.882nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082385(CHEMBL3422959)
Affinity DataIC50:  0.890nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13541(3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  0.969nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082440(CHEMBL3422977)
Affinity DataIC50:  0.990nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/glucose cotransporter 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50308469((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 5 member 4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342889((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Affinity DataIC50:  1.07nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 5 member 4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342888((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Affinity DataIC50:  1.11nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/glucose cotransporter 2(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342885((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Affinity DataIC50:  1.15nMAssay Description:Inhibition of rat SGLT2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082382(CHEMBL3422954)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082435(CHEMBL3422976)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13544(3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  1.38nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/glucose cotransporter 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM20880((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082390(CHEMBL3422964)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/glucose cotransporter 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50313364((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082394(CHEMBL3422966)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13540(3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  1.68nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13536(3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-y...)
Affinity DataIC50:  1.70nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082383(CHEMBL3422957)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082388(CHEMBL3422962)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50013412(CHEMBL3263752)
Affinity DataIC50:  1.80nMAssay Description:Binding affinity to mineralocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082427(CHEMBL3422968)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082430(CHEMBL3422971)
Affinity DataIC50:  2nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082520(CHEMBL3422983)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082432(CHEMBL3422973)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082520(CHEMBL3422983)
Affinity DataIC50:  2.13nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50013430(CHEMBL3263768)
Affinity DataIC50:  2.20nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082434(CHEMBL3422975)
Affinity DataIC50:  2.30nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/glucose cotransporter 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50313371((2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50082391(CHEMBL3422965)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50013422(CHEMBL3263760)
Affinity DataIC50:  2.70nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Rheinische Friedrich-Wilhelms-Universitat Bonn

LigandPNGBDBM13544(3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...)
Affinity DataIC50:  2.73nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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