Compile Data Set for Download or QSAR
maximum 50k data
Found 231 with Last Name = 'brueggemeier' and Initial = 'rw'
TargetEstrogen receptor(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50126591(7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1...)
Affinity DataKi:  3.90nMAssay Description:Binding affinity for Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50285628((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...)
Affinity DataKi:  10nMAssay Description:Inhibition of aromatase cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails Article
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50285627((7R,10R,13S)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,...)
Affinity DataKi:  13.1nMAssay Description:Inhibition of aromatase cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails Article
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032234((R)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,10,11,12,...)
Affinity DataKi:  13.1nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032231((R)-10,13-Dimethyl-7-(3-phenyl-propyl)-1,6,7,8,9,1...)
Affinity DataKi:  16.5nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50285626((7R,10R,13S)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,...)
Affinity DataKi:  16.5nMAssay Description:Inhibition of aromatase cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails Article
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032228(7-(4-Amino-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,...)
Affinity DataKi:  18nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50285629((7R,10R,13S)-7-(4-Amino-phenylsulfanyl)-10,13-dime...)
Affinity DataKi:  18nMAssay Description:Inhibition of aromatase cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails Article
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50010070(CHEMBL3245357)
Affinity DataKi:  18nMAssay Description:Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032232((R)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...)
Affinity DataKi:  18.9nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50010069(CHEMBL3245356)
Affinity DataKi:  31nMAssay Description:Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032229((7R,17S)-17-Hydroxy-10,13-dimethyl-7-phenethyl-1,2...)
Affinity DataKi:  36nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9911(3-Phenyl-7-(4-biphenylmethoxy)-2-[(4-pyridylmethyl...)
Affinity DataKi:  39nM ΔG°:  -44.0kJ/mole IC50:  79nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032233((7R,17S)-7-Benzyl-17-hydroxy-10,13-dimethyl-1,2,6,...)
Affinity DataKi:  39.5nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032227((S)-10,13-Dimethyl-7-phenethyl-1,6,7,8,9,10,11,12,...)
Affinity DataKi:  40.2nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50032230((S)-7-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...)
Affinity DataKi:  44.5nMAssay Description:Apparent binding affinity for human placental Cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50010067(CHEMBL3245348)
Affinity DataKi:  57nMAssay Description:Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014562(7-Benzyl-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16...)
Affinity DataKi:  61nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50010068(CHEMBL3245353)
Affinity DataKi:  62nMAssay Description:Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50010071(CHEMBL3245350)
Affinity DataKi:  69nMAssay Description:Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9903(3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...)
Affinity DataKi:  74nM ΔG°:  -42.3kJ/mole IC50:  90nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014559(7-(4-Amino-benzyl)-10,13-dimethyl-1,8,9,10,11,12,1...)
Affinity DataKi:  88nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014565(7-[2-(4-Amino-phenyl)-ethyl]-10,13-dimethyl-1,8,9,...)
Affinity DataKi:  88nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014560(10,13-Dimethyl-7-(4-nitro-benzyl)-1,8,9,10,11,12,1...)
Affinity DataKi:  94nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014563(10,13-Dimethyl-7-[2-(4-nitro-phenyl)-ethyl]-1,8,9,...)
Affinity DataKi:  95nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9902(3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...)
Affinity DataKi:  114nM ΔG°:  -41.2kJ/mole IC50:  112nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014561(10,13-Dimethyl-7-phenethyl-1,8,9,10,11,12,13,14,15...)
Affinity DataKi:  174nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9454(7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulf...)
Affinity DataKi:  220nM ΔG°:  -39.5kJ/mole IC50:  210nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9893(2-(1H-Imidazol-1-yl)-3-phenyl-7-(benzyloxy)-4H-1-b...)
Affinity DataKi:  250nM ΔG°:  -39.2kJ/mole IC50:  520nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9459(7-Hydroxy-3-(4-methoxyphenyl)-2-[(4-pyridylmethyl)...)
Affinity DataKi:  260nM ΔG°:  -39.1kJ/mole IC50:  220nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9458(7-Hydroxy-3-(4-hydroxyphenyl)-2-[(4-pyridylmethyl)...)
Affinity DataKi:  310nM ΔG°:  -38.6kJ/mole IC50:  280nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9891(2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzo...)
Affinity DataKi:  680nM ΔG°:  -36.6kJ/mole IC50:  770nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9449(7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-...)
Affinity DataKi:  900nM ΔG°:  -35.9kJ/mole IC50:  1.60E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9452(7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-...)
Affinity DataKi:  1.16E+3nM ΔG°:  -35.2kJ/mole IC50:  3.00E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9460(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Affinity DataKi:  1.41E+3nM ΔG°:  -34.7kJ/mole IC50:  2.80E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9460(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Affinity DataKi:  1.41E+3nM ΔG°:  -34.7kJ/mole IC50:  2.80E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9460(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Affinity DataKi:  1.41E+3nM ΔG°:  -34.7kJ/mole IC50:  2.80E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50014564(10,13-Dimethyl-7-phenyl-1,8,9,10,11,12,13,14,15,16...)
Affinity DataKi:  1.42E+3nMAssay Description:In vitro inhibition of human placental cytochrome P450 19A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9453(7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmeth...)
Affinity DataKi:  1.69E+3nM ΔG°:  -34.3kJ/mole IC50:  3.10E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9892(2-(1H-Imidazol-1-yl)-7-methoxy-3-(4-methoxyphenyl)...)
Affinity DataKi:  1.82E+3nM ΔG°:  -34.1kJ/mole IC50:  2.00E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9894(2-(1H-Imidazol-1-yl)-3-(4-methoxyphenyl)-7-(benzyl...)
Affinity DataKi:  4.40E+3nM ΔG°:  -31.8kJ/mole IC50:  4.70E+3nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.20E+4nM ΔG°:  -29.2kJ/mole IC50:  3.40E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.20E+4nM ΔG°:  -29.2kJ/mole IC50:  3.40E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  0.184nMAssay Description:Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  0.351nMAssay Description:Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  0.542nMAssay Description:Inhibition of human PKCa using histone H1 as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  1.08nMAssay Description:Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lyn(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  1.39nMAssay Description:Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataIC50:  1.58nMAssay Description:Inhibition of human PKACA using LCGRTGRRNSI as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Affinity DataIC50:  1.76nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
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