BDBM50236238 (3alpha,5beta)-3-hydroxycholan-24-oic acid::3alpha-hydroxy-5beta-cholan-24-oic acid::3alpha-hydroxy-5beta-cholanic acid::3alpha-hydroxy-5beta-cholanoic acid::5beta-cholanic acid-3alpha-ol::CHEMBL1478::LCA::cid_9903::lithocholic acid
SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key InChIKey=SMEROWZSTRWXGI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 33 hits for monomerid = 50236238
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
Affinity DataEC50: 5.60E+3nMAssay Description:Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
Affinity DataEC50: 6.70E+3nMAssay Description:Agonist activity at human FXR expressed in COS1 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
East China Normal University
Curated by ChEMBL
East China Normal University
Curated by ChEMBL
Affinity DataIC50: 2.05E+4nMAssay Description:Inhibition of TCPTP by para-nitrophenyl phosphate release assayMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
East China Normal University
Curated by ChEMBL
East China Normal University
Curated by ChEMBL
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of PTP1B by para-nitrophenyl phosphate release assayMore data for this Ligand-Target Pair
Affinity DataEC50: 5.00E+3nMAssay Description:Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 7.90E+4nMAssay Description:Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition ...More data for this Ligand-Target Pair
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.70E+4nMAssay Description:Displacement of biotinylated ephrinA1-Fc from recombinant mouse EphA2 Fc chimera protein by ELISAMore data for this Ligand-Target Pair
Affinity DataEC50: 2.00E+4nMAssay Description:Agonist activity at human FXR expressed in COS1 cells by luciferase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.90E+4nMAssay 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(Human)
Indiana University School of Medicine
Curated by ChEMBL
Indiana University School of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay 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 native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
TargetN-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D(Human)
Leiden University and Oncode Institute
Curated by ChEMBL
Leiden University and Oncode Institute
Curated by ChEMBL
Affinity DataIC50: 6.80E+4nMAssay Description:Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
East China Normal University
Curated by ChEMBL
East China Normal University
Curated by ChEMBL
Affinity DataIC50: 2.71E+3nMAssay Description:Inhibition of PTP1B (unknown origin) by SpectraMax 340 microplate reader AnalysisMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
East China Normal University
Curated by ChEMBL
East China Normal University
Curated by ChEMBL
Affinity DataIC50: 6.12E+3nMAssay Description:Inhibition of TCPTP (unknown origin) by SpectraMax 340 microplate reader AnalysisMore data for this Ligand-Target Pair
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Human)
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 4.82E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Affinity DataEC50: 580nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells by luciferase assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Antagonist activity at EphA2 receptor in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated cell retraction pretreated for 15 mins by ...More data for this Ligand-Target Pair
Affinity DataEC50: 730nMAssay Description:Agonist activity at wild type TGR5 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 4.67E+4nMAssay Description:Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce...More data for this Ligand-Target Pair
Affinity DataEC50: 2.14E+3nMAssay Description:Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.36E+4nMAssay Description:Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coac...More data for this Ligand-Target Pair
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore...More data for this Ligand-Target Pair
Affinity DataEC50: 680nMAssay Description:Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by san...More data for this Ligand-Target Pair
Affinity DataKd: 1.89E+4nMAssay Description:Binding affinity to N-terminal His-tagged human VDR LBD (118 to 427) by reverse isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
Affinity DataKd: 9.52E+3nMAssay Description:Binding affinity to N-terminal His-tagged human VDR LBD low-affinity site (118 to 427) by direct isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
Affinity DataKd: 330nMAssay Description:Binding affinity to N-terminal His-tagged human VDR LBD canonical site (118 to 427) by direct isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human GST-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+4nMAssay Description:The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.11E+4nMAssay Description:The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...More data for this Ligand-Target Pair