BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 88 hits from and University of California at San Diego   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228089
PNG
(CHEMBL393271 | N-(4-fluorophenyl)piperidine-1-sulf...)
Show SMILES Fc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C11H15FN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.19E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228090
PNG
(1-morpholino-2-(p-tolylthio)ethanone | CHEMBL23638...)
Show SMILES Cc1ccc(SCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C13H17NO2S/c1-11-2-4-12(5-3-11)17-10-13(15)14-6-8-16-9-7-14/h2-5H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228092
PNG
(1-(3-(trifluoromethyl)benzyl)-2-(thiazol-4-yl)-1H-...)
Show SMILES FC(F)(F)c1cccc(Cn2c(nc3ccccc23)-c2cscn2)c1
Show InChI InChI=1S/C18H12F3N3S/c19-18(20,21)13-5-3-4-12(8-13)9-24-16-7-2-1-6-14(16)23-17(24)15-10-25-11-22-15/h1-8,10-11H,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>3.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228091
PNG
(2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-et...)
Show SMILES Cc1ccc(cc1)-c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H21NO3/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)23-14-19(21)20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.55E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228099
PNG
(CHEMBL235297 | benzyl 2-methyl-4-(2-morpholino-2-o...)
Show SMILES Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H24N2O5/c1-16-13-18(27-15-20(24)23-9-11-26-12-10-23)7-8-19(16)22-21(25)28-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.50E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228097
PNG
(CHEMBL236136 | N-(3,5-dimethylphenyl)piperidine-1-...)
Show SMILES Cc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1
Show InChI InChI=1S/C13H20N2O2S/c1-11-8-12(2)10-13(9-11)14-18(16,17)15-6-4-3-5-7-15/h8-10,14H,3-7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.86E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228093
PNG
(2-(4-methoxyphenoxy)-1-morpholinoethanone | CHEMBL...)
Show SMILES COc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C13H17NO4/c1-16-11-2-4-12(5-3-11)18-10-13(15)14-6-8-17-9-7-14/h2-5H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.57E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228098
PNG
(2-(2-chlorophenoxy)-1-(2,6-dimethylmorpholino)etha...)
Show SMILES CC1CN(CC(C)O1)C(=O)COc1ccccc1Cl
Show InChI InChI=1S/C14H18ClNO3/c1-10-7-16(8-11(2)19-10)14(17)9-18-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228095
PNG
(2-(4-fluorophenoxy)-1-morpholinoethanone | CHEMBL2...)
Show SMILES Fc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C12H14FNO3/c13-10-1-3-11(4-2-10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.76E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228094
PNG
(CHEMBL235260 | N-(2-(methylthio)phenyl)-2-(2-(thia...)
Show SMILES CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
Show InChI InChI=1S/C19H16N4OS2/c1-25-17-9-5-3-7-14(17)21-18(24)10-23-16-8-4-2-6-13(16)22-19(23)15-11-26-12-20-15/h2-9,11-12H,10H2,1H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>4.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228096
PNG
(CHEMBL393826 | N-(2-fluorophenyl)-2-(2-(thiazol-4-...)
Show SMILES Fc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
Show InChI InChI=1S/C18H13FN4OS/c19-12-5-1-2-6-13(12)21-17(24)9-23-16-8-4-3-7-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>4.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228100
PNG
(1-(2,6-dimethylmorpholino)-2-(phenylthio)ethanone ...)
Show SMILES CC1CN(CC(C)O1)C(=O)CSc1ccccc1
Show InChI InChI=1S/C14H19NO2S/c1-11-8-15(9-12(2)17-11)14(16)10-18-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.26E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228103
PNG
(CHEMBL394751 | N-(3,5-dichlorophenyl)piperidine-1-...)
Show SMILES Clc1cc(Cl)cc(NS(=O)(=O)N2CCCCC2)c1
Show InChI InChI=1S/C11H14Cl2N2O2S/c12-9-6-10(13)8-11(7-9)14-18(16,17)15-4-2-1-3-5-15/h6-8,14H,1-5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.55E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228101
PNG
(2,2-difluoro-2-(4-isopropylphenylthio)-1-morpholin...)
Show SMILES CC(C)c1ccc(SC(F)(F)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C15H19F2NO2S/c1-11(2)12-3-5-13(6-4-12)21-15(16,17)14(19)18-7-9-20-10-8-18/h3-6,11H,7-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228102
PNG
(1-morpholino-2-(2,3,5-trimethylphenoxy)ethanone | ...)
Show SMILES Cc1cc(C)c(C)c(OCC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C15H21NO3/c1-11-8-12(2)13(3)14(9-11)19-10-15(17)16-4-6-18-7-5-16/h8-9H,4-7,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228104
PNG
(4-(1H-benzo[d]imidazol-2-yl)thiazol-2-amine | CHEM...)
Show SMILES Nc1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4S/c11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9/h1-5H,(H2,11,14)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.80E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM33822
PNG
(2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl...)
Show SMILES OC(=O)c1ccccc1SCC(=O)N1CCOCC1
Show InChI InChI=1S/C13H15NO4S/c15-12(14-5-7-18-8-6-14)9-19-11-4-2-1-3-10(11)13(16)17/h1-4H,5-9H2,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>3.70E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228106
PNG
(4-(2-(4-isopropylphenylthio)acetyl)morpholine-3-ca...)
Show SMILES CC(C)c1ccc(SCC(=O)N2CCOCC2C(O)=O)cc1
Show InChI InChI=1S/C16H21NO4S/c1-11(2)12-3-5-13(6-4-12)22-10-15(18)17-7-8-21-9-14(17)16(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.26E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228105
PNG
(2-(2-methyl-4-(pyrrolidin-1-ylsulfonyl)phenoxy)-1-...)
Show SMILES Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H24N2O5S/c1-14-12-15(25(21,22)19-6-2-3-7-19)4-5-16(14)24-13-17(20)18-8-10-23-11-9-18/h4-5,12H,2-3,6-11,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.76E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228107
PNG
(1-morpholino-2-tosylethanone | CHEMBL409750)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1
Show InChI InChI=1S/C13H17NO4S/c1-11-2-4-12(5-3-11)19(16,17)10-13(15)14-6-8-18-9-7-14/h2-5H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228110
PNG
(3-((4,5-dihydroisoxazol-3-yl)methylthio)-5-methyl-...)
Show SMILES Cc1nnc(SCC2=NOCC2)n1-c1ccccc1
Show InChI InChI=1S/C13H14N4OS/c1-10-14-15-13(19-9-11-7-8-18-16-11)17(10)12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.90E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228109
PNG
(CHEMBL236141 | N-(4-ethoxyphenyl)piperidine-1-sulf...)
Show SMILES CCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C13H20N2O3S/c1-2-18-13-8-6-12(7-9-13)14-19(16,17)15-10-4-3-5-11-15/h6-9,14H,2-5,10-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.23E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228113
PNG
(CHEMBL391600 | N-butyl-4-(2-morpholino-2-oxoethoxy...)
Show SMILES CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H24N2O5S/c1-2-3-8-17-24(20,21)15-6-4-14(5-7-15)23-13-16(19)18-9-11-22-12-10-18/h4-7,17H,2-3,8-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.55E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228114
PNG
(3-(4-methoxyphenyl)-1-morpholinopropan-1-one | CHE...)
Show SMILES COc1ccc(CCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C14H19NO3/c1-17-13-5-2-12(3-6-13)4-7-14(16)15-8-10-18-11-9-15/h2-3,5-6H,4,7-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.04E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228108
PNG
(CHEMBL235927 | N-isopropyl-4-(2-morpholino-2-oxoet...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C15H22N2O5S/c1-12(2)16-23(19,20)14-5-3-13(4-6-14)22-11-15(18)17-7-9-21-10-8-17/h3-6,12,16H,7-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228111
PNG
(CHEMBL235914 | N-p-tolylpiperidine-1-sulfonamide)
Show SMILES Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C12H18N2O2S/c1-11-5-7-12(8-6-11)13-17(15,16)14-9-3-2-4-10-14/h5-8,13H,2-4,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.89E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228112
PNG
(2-(4-ethylphenoxy)-1-morpholinoethanone | CHEMBL23...)
Show SMILES CCc1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C14H19NO3/c1-2-12-3-5-13(6-4-12)18-11-14(16)15-7-9-17-10-8-15/h3-6H,2,7-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.23E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228115
PNG
(CHEMBL444366 | N-(4-bromophenyl)piperidine-1-sulfo...)
Show SMILES Brc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C11H15BrN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.99E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228116
PNG
(2-(benzo[d][1,3]dioxol-5-yloxy)-1-morpholinoethano...)
Show SMILES O=C(COc1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1S/C13H15NO5/c15-13(14-3-5-16-6-4-14)8-17-10-1-2-11-12(7-10)19-9-18-11/h1-2,7H,3-6,8-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.76E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228117
PNG
(2-((2-(thiazol-4-yl)-1H-benzo[d]imidazol-1-yl)meth...)
Show SMILES N#Cc1ccccc1Cn1c(nc2ccccc12)-c1cscn1
Show InChI InChI=1S/C18H12N4S/c19-9-13-5-1-2-6-14(13)10-22-17-8-4-3-7-15(17)21-18(22)16-11-23-12-20-16/h1-8,11-12H,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>4.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228118
PNG
(CHEMBL396885 | N-(4-(2-morpholino-2-oxoethoxy)phen...)
Show SMILES O=C(COc1ccc(NC(=O)c2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C18H19N3O4/c22-17(21-8-10-24-11-9-21)13-25-16-5-3-15(4-6-16)20-18(23)14-2-1-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228124
PNG
(2-(2,4-dichlorophenoxy)-1-morpholinoethanone | CHE...)
Show SMILES Clc1ccc(OCC(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C12H13Cl2NO3/c13-9-1-2-11(10(14)7-9)18-8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.03E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228121
PNG
(2-(2-morpholino-2-oxoethylthio)-5-(trifluoromethyl...)
Show SMILES OC(=O)c1cc(ccc1SCC(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C14H14F3NO4S/c15-14(16,17)9-1-2-11(10(7-9)13(20)21)23-8-12(19)18-3-5-22-6-4-18/h1-2,7H,3-6,8H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.53E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228122
PNG
(CHEMBL236367 | methyl 4-(2-(4-isopropylphenylsulfo...)
Show SMILES COC(=O)C1COCCN1C(=O)CS(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C17H23NO6S/c1-12(2)13-4-6-14(7-5-13)25(21,22)11-16(19)18-8-9-24-10-15(18)17(20)23-3/h4-7,12,15H,8-11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.05E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228123
PNG
(2-(4-isopropyl-3-methylphenoxy)-1-morpholinoethano...)
Show SMILES CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1C
Show InChI InChI=1S/C16H23NO3/c1-12(2)15-5-4-14(10-13(15)3)20-11-16(18)17-6-8-19-9-7-17/h4-5,10,12H,6-9,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.87E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228119
PNG
(2-(2-fluorophenoxy)-1-morpholinoethanone | CHEMBL2...)
Show SMILES Fc1ccccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C12H14FNO3/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.57E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228120
PNG
(CHEMBL396887 | N-(3-chloro-4-methylphenyl)piperidi...)
Show SMILES Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C12H17ClN2O2S/c1-10-5-6-11(9-12(10)13)14-18(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.35E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228128
PNG
(2-(2,4-dimethylphenoxy)-1-morpholinoethanone | CHE...)
Show SMILES Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228129
PNG
(2-(4-chloro-3,5-dimethylphenoxy)-1-morpholinoethan...)
Show SMILES Cc1cc(OCC(=O)N2CCOCC2)cc(C)c1Cl
Show InChI InChI=1S/C14H18ClNO3/c1-10-7-12(8-11(2)14(10)15)19-9-13(17)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.31E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228125
PNG
(CHEMBL236554 | piperidine-1-sulfonic acid (2-metho...)
Show SMILES COc1cc2c(cc1NS(=O)(=O)N1CCCCC1)oc1ccccc21
Show InChI InChI=1S/C18H20N2O4S/c1-23-18-11-14-13-7-3-4-8-16(13)24-17(14)12-15(18)19-25(21,22)20-9-5-2-6-10-20/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>3.70E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228126
PNG
(2-(2-methoxy-4-((thiophen-2-ylmethylamino)methyl)p...)
Show SMILES COc1cc(CNCc2cccs2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O4S/c1-23-18-11-15(12-20-13-16-3-2-10-26-16)4-5-17(18)25-14-19(22)21-6-8-24-9-7-21/h2-5,10-11,20H,6-9,12-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228127
PNG
(1-morpholino-2-(phenylthio)ethanone | CHEMBL236971)
Show SMILES O=C(CSc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.53E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228130
PNG
(CHEMBL392086 | N-(2,3-dichlorophenyl)-2-(2-morphol...)
Show SMILES Clc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1Cl
Show InChI InChI=1S/C19H18Cl2N2O4/c20-14-5-3-6-15(18(14)21)22-19(25)13-4-1-2-7-16(13)27-12-17(24)23-8-10-26-11-9-23/h1-7H,8-12H2,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228133
PNG
(2-(3,4-dimethylphenoxy)-1-morpholinoethanone | CHE...)
Show SMILES Cc1ccc(OCC(=O)N2CCOCC2)cc1C
Show InChI InChI=1S/C14H19NO3/c1-11-3-4-13(9-12(11)2)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.31E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228132
PNG
(3-(3-(4-(2-(4-isopropylphenylsulfonyl)acetyl)morph...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)CC(=O)N1CCOCC1C(=O)OCCCc1ccc[n+]([O-])c1
Show InChI InChI=1S/C24H30N2O7S/c1-18(2)20-7-9-21(10-8-20)34(30,31)17-23(27)26-12-14-32-16-22(26)24(28)33-13-4-6-19-5-3-11-25(29)15-19/h3,5,7-11,15,18,22H,4,6,12-14,16-17H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.29E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228131
PNG
(2-(4-amino-2,6-dimethylphenoxy)-1-morpholinoethano...)
Show SMILES Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C14H20N2O3/c1-10-7-12(15)8-11(2)14(10)19-9-13(17)16-3-5-18-6-4-16/h7-8H,3-6,9,15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.40E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228135
PNG
(1-(4-(1H-tetrazol-5-yl)benzyl)-2-(thiazol-4-yl)-1H...)
Show SMILES C(c1ccc(cc1)-c1nnn[nH]1)n1c(nc2ccccc12)-c1cscn1
Show InChI InChI=1S/C18H13N7S/c1-2-4-16-14(3-1)20-18(15-10-26-11-19-15)25(16)9-12-5-7-13(8-6-12)17-21-23-24-22-17/h1-8,10-11H,9H2,(H,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>3.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228136
PNG
(CHEMBL391601 | N-cyclopentyl-4-(2-morpholino-2-oxo...)
Show SMILES O=C(COc1ccc(cc1)S(=O)(=O)NC1CCCC1)N1CCOCC1
Show InChI InChI=1S/C17H24N2O5S/c20-17(19-9-11-23-12-10-19)13-24-15-5-7-16(8-6-15)25(21,22)18-14-3-1-2-4-14/h5-8,14,18H,1-4,9-13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.55E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228137
PNG
(CHEMBL236347 | piperidine-1-sulfonic acid dibenzof...)
Show SMILES O=S(=O)(Nc1ccc2c(c1)oc1ccccc21)N1CCCCC1
Show InChI InChI=1S/C17H18N2O3S/c20-23(21,19-10-4-1-5-11-19)18-13-8-9-15-14-6-2-3-7-16(14)22-17(15)12-13/h2-3,6-9,12,18H,1,4-5,10-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>3.70E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50228138
PNG
(1-morpholino-2-phenoxyethanone | CHEMBL237616)
Show SMILES O=C(COc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C12H15NO3/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>1.03E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry


J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 88 total )  |  Next  |  Last  >>
Jump to: