null
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C
InChI Key InChIKey=JQXXHWHPUNPDRT-WLSIYKJHSA-N
PDB links: 21 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 56 hits for monomerid = 50370232
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 1.10E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A4(Rattus norvegicus)
University of Zurich
Curated by ChEMBL
University of Zurich
Curated by ChEMBL
Affinity DataKi: 1.40E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 1.40E+3nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A4(Rattus norvegicus)
University of Zurich
Curated by ChEMBL
University of Zurich
Curated by ChEMBL
Affinity DataKi: 1.46E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 5.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
Affinity DataKi: 1.19E+4nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicles from Bsep-expressing Sf9 cellsMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 1.70E+4nMAssay Description:TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A1(Rattus norvegicus)
Kitasato University
Curated by ChEMBL
Kitasato University
Curated by ChEMBL
Affinity DataKi: 1.82E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A2(Homo sapiens (Human))
University Hospital
Curated by ChEMBL
University Hospital
Curated by ChEMBL
Affinity DataKi: 5.10E+4nMAssay Description:TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 6.30E+4nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
Affinity DataKi: 2.00E+5nMAssay Description:Inhibition of AADAC in human liver microsomeMore data for this Ligand-Target Pair
Affinity DataKi: 3.00E+5nMAssay Description:Inhibition of human recombinant AADACMore data for this Ligand-Target Pair
Affinity DataKi: 7.00E+5nMAssay Description:Inhibition of AADAC in human jejunum microsomeMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 5.60E+3nMAssay Description:Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to controlMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 2.30E+3nMAssay Description:Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataIC50: 1.87E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 2.53E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 4.19E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 2.53E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 6.90E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 2.00E+3nMAssay Description:Agonist activity at VP16-fused human PXR expressed in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Affinity DataIC50: 7.50E+4nMAssay Description:Inhibition of GSTO1-1 (unknown origin) by enzymatic assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine
Curated by ChEMBL
Indiana University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
Affinity DataEC50: 1.30E+3nMAssay Description:Induction of CYP2B6 activity in human donor hepatocytes assessed as hydroxybupropion formation after 48 hrs by LC/MS methodMore data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine
Curated by ChEMBL
Indiana University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Institute of Technology & Science-Pilani
Curated by ChEMBL
Institute of Technology & Science-Pilani
Curated by ChEMBL
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresisMore data for this Ligand-Target Pair
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
The Pennsylvania State University
Curated by ChEMBL
The Pennsylvania State University
Curated by ChEMBL
Affinity DataIC50: 2.33E+5nMAssay Description:Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...More data for this Ligand-Target Pair
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
The Pennsylvania State University
Curated by ChEMBL
The Pennsylvania State University
Curated by ChEMBL
Affinity DataIC50: 1.71E+5nMAssay Description:Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...More data for this Ligand-Target Pair
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
The Pennsylvania State University
Curated by ChEMBL
The Pennsylvania State University
Curated by ChEMBL
Affinity DataIC50: 1.13E+6nMAssay Description:Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA...More data for this Ligand-Target Pair
Affinity DataIC50: 4.62E+4nMAssay Description:Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluor...More data for this Ligand-Target Pair
Affinity DataIC50: 7.10E+3nMAssay Description:Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 1.40E+3nMAssay Description:Agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by lucifer...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 6.50E+4nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
TargetNH(3)-dependent NAD(+) synthetase(Bacillus subtilis)
University of Alabama at Birmingham
Curated by ChEMBL
University of Alabama at Birmingham
Curated by ChEMBL
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity against Bacillus subtilis NAD synthetaseMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 190nMAssay Description:Agonist activity at PXR expressed in human HepG2 cells after 24 hrs by p3A4-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 1.10E+3nMAssay Description:Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
Affinity DataIC50: 3.47E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 200nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
University of Michigan
Curated by ChEMBL
University of Michigan
Curated by ChEMBL
Affinity DataEC50: 3.50E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair