null

SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O

InChI Key InChIKey=QFJCIRLUMZQUOT-HPLJOQBZSA-N

PDB links: 23 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 36609   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay 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 FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKi:  1nM EC50:  30nMAssay Description:FKBP12 assay using rapamycin analogs.More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Binding affinity to human FKBP51 by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKi:  5.40E+3nMMore data for this Ligand-Target Pair
TargetProgrammed cell death protein 4(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataEC50:  50nMAssay Description:Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD4X46PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cellsMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Compound was tested in vitro for its ability to compete with immobilized FK506 for binding to biotinylated FK506 binding protein 12 in a competitive ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.450nMAssay Description:Inhibitory concentration against FKBP12 receptorMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.450nMAssay Description:Inhibitory concentration against binding to FKBP12More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 3.5nMAssay Description:The inhibitory activity by using FK506 binding protein 12 SPA binding assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Inhibition of mTOR kinase expressed in human HEK293 cells by western blot analysisMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd:  0.600nMAssay Description:Binding affinity to mTOR FKBP12 site (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 430nMAssay Description:Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of Phalloidin uptake (Phalloidin: 1 uM) in OATP-C-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571FVJPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
AvMax Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.25E+3nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 transport (basal to apical) (R123: 15 uM) in HCT-8 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GH9MTRPubMed
TargetSerine/threonine-protein kinase mTOR(Mus musculus (Mouse))
Therachem Research Medilab, LLC.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University of Chemistry and Technology Prague

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 7.70E+4nMAssay Description:Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29G5R8TPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Inhibition of mTOR in HEK293 cellsMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataEC50:  36nMAssay Description:Binding affinity to FKBP12 (unknown origin) expressed in HEK293 cells co-expressing FRB assessed as induction of FKBP12-FRB dimerization measured for...More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Displacement of fluorescent tracer Rap-Gly-BDP from nanoluciferse-tagged human FKBP12 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assa...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.800nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 450nMMore data for this Ligand-Target Pair
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.0500nMMore data for this Ligand-Target Pair
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5DT3PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Guilford Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd: <0.300nMAssay Description:Biotinylated avi-FKBP12 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization...More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd: <10nMAssay Description:Biotinylated avi-FKBP51 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization...More data for this Ligand-Target Pair
TargetPyruvate kinase PKM(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coliMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Homo sapiens (Human))
Max Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd:  3.70nMMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Homo sapiens (Human))TBA
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd:  4.20nMMore data for this Ligand-Target Pair
TargetEukaryotic translation initiation factor 4E(Homo sapiens (Human))
University of Toronto

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd:  0.5nMAssay Description:Binding affinity to purified elF4EMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6RTZPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataEC50:  890nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataEC50:  1.00E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1B(Homo sapiens (Human))
Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataKd:  0.200nMAssay Description:Binding affinity to FKBP12 (unknown origin) by NMR analysisMore data for this Ligand-Target Pair