BindingDB PrimarySearch

BDBM36609 Rapamycin C-7, analog 4::SIROLIMUS

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

Data: 3 KI 13 IC50 3 Kd 4 EC50

PDB links: 22 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 36609
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity				J Med Chem 41: 5119-43 (1999) Article DOI: 10.1021/jm980307x BindingDB Entry DOI: 10.7270/Q22B8ZP8
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
SmithKline Beecham Pharmaceuticals					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
Max Institute of Psychiatry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 4E (eIF4E) (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Binding affinity to purified elF4E				Bioorg Med Chem 18: 7746-52 (2010) Article DOI: 10.1016/j.bmc.2010.04.005 BindingDB Entry DOI: 10.7270/Q2KS6RTZ
University of Toronto Curated by ChEMBL					More data for this Ligand-Target Pair
Programmed cell death protein 4 (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...				J Nat Prod 74: 1015-20 (2011) Article DOI: 10.1021/np100918z BindingDB Entry DOI: 10.7270/Q2JD4X46
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells				Bioorg Med Chem Lett 21: 6793-9 (2011) Article DOI: 10.1016/j.bmcl.2011.09.035 BindingDB Entry DOI: 10.7270/Q28W3DR1
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay 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 ...				Bioorg Med Chem Lett 9: 459-62 (1999) BindingDB Entry DOI: 10.7270/Q23N23WR
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against FKBP12 receptor				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against binding to FKBP12				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description The inhibitory activity by using FK506 binding protein 12 SPA binding assay				Bioorg Med Chem Lett 10: 1007-10 (2000) BindingDB Entry DOI: 10.7270/Q28K7BCP
Glaxo Wellcome Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of mTOR kinase expressed in human HEK293 cells by western blot analysis				J Biol Chem 282: 13395-401 (2007) Article DOI: 10.1074/jbc.M700498200 BindingDB Entry DOI: 10.7270/Q2J1042G
Stanford University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mTOR FKBP12 site (unknown origin)				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISA				Eur J Med Chem 156: 304-315 (2018) Article DOI: 10.1016/j.ejmech.2018.07.004 BindingDB Entry DOI: 10.7270/Q2J9692K
Mansoura University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Phalloidin uptake (Phalloidin: 1 uM) in OATP-C-expressing HEK293 cells				Naunyn Schmiedebergs Arch Pharmacol 368: 415-20 (2003) Article DOI: 10.1007/s00210-003-0814-4 BindingDB Entry DOI: 10.7270/Q2571FVJ
Deutsches Krebsforschungszentrum Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AvMax Inc. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Rhodamine 123 transport (basal to apical) (R123: 15 uM) in HCT-8 cells				J Pharmacol Exp Ther 303: 308-13 (2002) Article DOI: 10.1124/jpet.102.036541 BindingDB Entry DOI: 10.7270/Q2GH9MTR
AvMax Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR) (Mus musculus (Mouse))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab, LLC. Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay				ACS Med Chem Lett 10: 843-845 (2019) Article DOI: 10.1021/acsmedchemlett.9b00215
Therachem Research Medilab, LLC. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus)	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	890	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mTOR in HEK293 cells				J Med Chem 63: 10135-10157 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
FK506-binding protein 1B (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 \| SIROLIMUS) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research and Development, LLC Curated by ChEMBL					Assay Description Binding affinity to FKBP12 (unknown origin) by NMR analysis				J Med Chem 57: 7819-37 (2014) Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3
					More data for this Ligand-Target Pair				3D Structure (crystal)