Compile Data Set for Download or QSAR
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Found 217 with Last Name = 'marr' and Initial = 'hb'
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336641(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Affinity DataIC50:  4.40E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM22164((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Affinity DataIC50:  5.10E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336641(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336641(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336641(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Affinity DataEC50:  59nMpH: 7.5 T: 2°CAssay Description:The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30329(Naphthoic acid-based analog, 1b)
Affinity DataEC50:  87nMpH: 7.5 T: 2°CAssay Description:The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30330(Naphthoic acid-based analog, 1c)
Affinity DataEC50:  100nMpH: 7.5 T: 2°CAssay Description:The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30331(Naphthoic acid-based analog, 1d)
Affinity DataEC50:  420nMpH: 7.5 T: 2°CAssay Description:The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30332(Naphthoic acid-based analog, 1e)
Affinity DataEC50:  2.30E+3nMpH: 7.5 T: 2°CAssay Description:The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM21724(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Affinity DataEC50:  65nMAssay Description:The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30329(Naphthoic acid-based analog, 1b)
Affinity DataEC50:  68nMAssay Description:The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30330(Naphthoic acid-based analog, 1c)
Affinity DataEC50:  45nMAssay Description:The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30331(Naphthoic acid-based analog, 1d)
Affinity DataEC50:  500nMAssay Description:The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM30332(Naphthoic acid-based analog, 1e)
Affinity DataEC50:  3.30E+3nMAssay Description:The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258586((R)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxa...)
Affinity DataEC50:  105nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258558((S)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxa...)
Affinity DataEC50:  190nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258557(3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(pentan-3...)
Affinity DataEC50:  2.20E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258556(3-(2-chloro-4-((5-cyclopentyl-3-(2,6-dichloropheny...)
Affinity DataEC50:  560nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258513(3-(2-chloro-4-((5-cyclobutyl-3-(2,6-dichlorophenyl...)
Affinity DataEC50:  410nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258512(3-(2-chloro-4-((3-((trans)-2-(2,6-dichlorophenyl)c...)
Affinity DataEC50:  2.00E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258511(3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(1-methyl...)
Affinity DataEC50:  930nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258486(3-(2-chloro-4-((5-isopropyl-3-((naphthalen-1-yloxy...)
Affinity DataEC50:  960nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258485(3-(2-chloro-4-((5-isopropyl-3-((naphthalen-2-yloxy...)
Affinity DataEC50:  930nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258484(3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)m...)
Affinity DataEC50:  130nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258453(3-(2-chloro-4-((5-isopropyl-3-((2,4,6-trichlorophe...)
Affinity DataEC50:  58nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258452(3-(2-chloro-4-((5-isopropyl-3-((2,4,6-trifluorophe...)
Affinity DataEC50:  110nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258451(3-(2-chloro-4-((3-((2,6-dichloro-4-fluorophenoxy)m...)
Affinity DataEC50:  87nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258423(3-(2-chloro-4-((3-((3,5-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  1.10E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258422(3-(2-chloro-4-((3-((3,4-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  1.10E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258421(3-(2-chloro-4-((3-((2,5-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258323(3-(2-chloro-4-((3-((2,4-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  620nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258283(3-(2-chloro-4-((3-((2,3-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  480nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258282(3-(2-chloro-4-((3-((2,6-difluorophenoxy)methyl)-5-...)
Affinity DataEC50:  2.20E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258281(3-(2-chloro-4-((3-((2-chloro-6-fluorophenoxy)methy...)
Affinity DataEC50:  74nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258852(3-(2-chloro-4-((3-((2,6-dimethylphenoxy)methyl)-5-...)
Affinity DataEC50:  17nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258851(3-(2-chloro-4-((3-((2-chloro-6-methylphenoxy)methy...)
Affinity DataEC50:  48nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258850(3-(2-chloro-4-((3-((4-chlorophenoxy)methyl)-5-isop...)
Affinity DataEC50:  450nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258810(3-(2-chloro-4-((3-((3-chlorophenoxy)methyl)-5-isop...)
Affinity DataEC50:  310nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258809(3-(2-chloro-4-((3-((2-chlorophenoxy)methyl)-5-isop...)
Affinity DataEC50:  460nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258808(3-(2-chloro-4-((3-((2,6-dichlorophenylsulfonyl)met...)
Affinity DataEC50:  150nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258778(3-(2-chloro-4-((3-((2,6-dichlorophenylsulfinyl)met...)
Affinity DataEC50:  28nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258777(3-(2-chloro-4-((3-((2,6-dichlorophenylthio)methyl)...)
Affinity DataEC50:  51nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258776(3-(2-chloro-4-((3-((3,5-dichloropyridin-4-ylamino)...)
Affinity DataEC50:  400nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258746(3-(2-chloro-4-((3-((2,6-dichlorophenylamino)methyl...)
Affinity DataEC50:  72nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258745(3-(2-chloro-4-((3-((2,6-dichlorophenoxy)methyl)-5-...)
Affinity DataEC50:  78nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258744(3-(2-chloro-4-((5-isopropyl-3-(phenoxymethyl)isoxa...)
Affinity DataEC50:  1.10E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Gsk

LigandPNGBDBM50258713(3-(2-chloro-4-((3-(hydroxymethyl)-5-isopropylisoxa...)
Affinity DataEC50:  7.80E+3nMAssay Description:Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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