BindingDB

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36609

Pyruvate kinase PKM(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL

BDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI

IC50: 50nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coliMore data for this Ligand-Target Pair

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UniProtKB/SwissProt
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Details Article PubMed

Targets 15 ▿
- Serine/threonine-protein kinase mTOR 10
- Peptidyl-prolyl cis-trans isomerase FKBP1A 8
- Peptidyl-prolyl cis-trans isomerase FKBP5 3
- Target of rapamycin complex subunit LST8 2
- Nuclear receptor subfamily 1 group I member 2 2
- Eukaryotic translation initiation factor 4E 1
- Peptidyl-prolyl cis-trans isomerase FKBP1B 1
- Pyruvate kinase PKM 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Solute carrier organic anion transporter family member 1B1 1
- Programmed cell death protein 4 1
- Peptidyl-prolyl cis-trans isomerase FKBP4 1
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1
- Bile salt export pump 1
- ATP-dependent translocase ABCB1 1
Publications 21 ▿
- Drug Metab Dispos 39: 151-9 (2010) 2
- J Med Chem 48: 5613-38 (2005) 2
- J Med Chem 56: 3922-35 (2013) 1
- Bioorg Med Chem Lett 9: 459-62 (1999) 1
- J Med Chem 57: 7819-37 (2014) 1
- J Med Chem 41: 5119-43 (1999) 1
- J Med Chem 63: 1937-1963 (2020) 1
- J Biol Chem 282: 13395-401 (2007) 1
- J Med Chem 61: 10084-10105 (2018) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- J Pharmacol Exp Ther 303: 308-13 (2002) 1
- Eur J Med Chem 156: 304-315 (2018) 1
- Chem Biol 2: 471-81 (1995) 1
- Naunyn Schmiedebergs Arch Pharmacol 368: 415-20 (2003) 1
- Bioorg Med Chem Lett 21: 6793-9 (2011) 1
- J Med Chem 44: 4288-91 (2001) 1
- J Nat Prod 74: 1015-20 (2011) 1
- ACS Med Chem Lett 10: 843-845 (2019) 1
- Bioorg Med Chem 18: 7746-52 (2010) 1
- J Med Chem 63: 10135-10157 (2020) 1
- Bioorg Med Chem Lett 10: 1007-10 (2000) 1
Institutions 21 ▿
- [The Scripps Research Institute, National Institutes of Health Chemical Genomics Center] 2
- [The Scripps Research Institute, National Institutes of Health Chemical Genomics Center] 2
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
- [University of Basel, Stanford University, Mansoura University, SmithKline Beecham Pharmaceuticals, China Pharmaceutical University, Glaxo Wellcome, Janssen Pharmaceutical Research and Development, LLC, University of Toronto, Deutsches Krebsforschungszentrum, Universit£ di Pisa, AvMax Inc., Novartis Pharma AG, Guilford Pharmaceuticals, Inc., Max Institute of Psychiatry, Therachem Research Medilab, LLC., National Cancer Institute, University of Chemistry and Technology Prague, AstraZeneca, Celgene Corporation] 1
Affinity: 0.050 to 7.7E+4 nM▿
- Ki 4
- IC50 20
- Kd 7
- EC50 5
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1