BDBM50030448 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN::CHEMBL269732::TACROLIMUS
SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
InChI Key InChIKey=QJJXYPPXXYFBGM-LFZNUXCKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 50030448
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataKi: 0.400nMAssay Description:Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activityMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Affinity DataKi: 79nMAssay Description:Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Affinity DataKi: 93nMAssay Description:Binding affinity to FKBP51 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 2.66E+3nMAssay Description:Reversible competitive inhibition of human CYP3A4-mediated 1'-OH midazolam formation in human liver microsomes after 7.5 mins by nonlinear regression...More data for this Ligand-Target Pair
Affinity DataKi: 2.69E+3nMAssay Description:Reversible competitive inhibition of human CYP3A5-mediated 1'-OH midazolam formation in human liver microsomes after 7.5 mins by nonlinear regression...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated with compound before substrate addit...More data for this Ligand-Target Pair
Affinity DataIC50: 630nMAssay Description:Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation by LC-MS methodMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataKd: 0.200nMAssay Description:The compound was evaluated for its affinity to the binding domain of immunophilin FK506 binding protein 12More data for this Ligand-Target Pair
Affinity DataKd: 20nMAssay Description:Binding affinity to protein phosphatase, calcineurin (CN) was determinedMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataKd: 0.200nMAssay Description:Binding affinity to FK506 binding protein 12 was determinedMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Novartis Institutes For Biomedical Research And Novartis Pharma Development
Curated by ChEMBL
Novartis Institutes For Biomedical Research And Novartis Pharma Development
Curated by ChEMBL
Affinity DataIC50: 0.950nMAssay Description:Inhibitory activity against macrophilin (FKBP-12)More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity towards recombinant FK506 binding protein 12 to determine the FKBP binding property of the compoundMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Novartis Institutes For Biomedical Research And Novartis Pharma Development
Curated by ChEMBL
Novartis Institutes For Biomedical Research And Novartis Pharma Development
Curated by ChEMBL
Affinity DataIC50: 3.20nMAssay Description:The inhibitory activity by using FK506 binding protein 12 SPA binding assayMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 14nMAssay Description:Antagonist activity at human FKBP12 measured after 30 mins by fluorescein labelled SLF tracer based fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay 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: 7.18E+3nMAssay 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: >1.33E+5nMAssay 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
Affinity DataIC50: 4.03E+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
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum
Curated by ChEMBL
Deutsches Krebsforschungszentrum
Curated by ChEMBL
Affinity DataIC50: 3.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of Phalloidin uptake (Phalloidin: 1 uM) in OATP-C-expressing HEK293 cellsMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 3.83E+4nMAssay Description:Binding affinity to FKBP12 (unknown origin) expressed in HEK293 cells co-expressing FRB assessed as inhibition of rapamycin-induced FKBP12-FRB dimeri...More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana
Curated by ChEMBL
Federal University Of Parana
Curated by ChEMBL
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated pheophorbide A efflux and measured after 90 mins by FACSflow cytometryMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Max Planck Institute Of Psychiatry
Curated by ChEMBL
Affinity DataKd: 104nMAssay Description:Binding affinity to FKBP51 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 23nMAssay Description:Binding affinity to FKBP52 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 620nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation by LC-MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 120nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated with compound before substrate addit...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center
Curated by ChEMBL
National Institutes Of Health Chemical Genomics Center
Curated by ChEMBL
Affinity DataEC50: 5.00E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataKd: 0.400nMAssay Description:Binding affinity to FKBP12 (unknown origin)More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals
Curated by ChEMBL
Guilford Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 2.30nMAssay Description:The compound was tested for binding affinity against human FK506 binding protein 12More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1B(Homo sapiens (Human))
Janssen Research And Development
Curated by ChEMBL
Janssen Research And Development
Curated by ChEMBL
Affinity DataKd: 0.400nMAssay Description:Binding affinity to FKBP12 (unknown origin) by NMR analysisMore data for this Ligand-Target Pair