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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'fawzi' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343413
PNG
(CHEMBL1201182 | TEMSIROLIMUS | Torisel)
Show 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]1OC(=O)C(C)(CO)CO |r,c:14,33,t:29,31|
Show InChI InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay


J Nat Prod 74: 547-53 (2011)


Article DOI: 10.1021/np1003388
BindingDB Entry DOI: 10.7270/Q2DB825W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343416
PNG
(CHEMBL1774940 | homotemsirolimus A)
Show SMILES CC[C@@H]1CC[C@H]2C[C@H](OC)\C(C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O)O2)[C@H](C)C[C@@H]1CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C1)OC |r,t:11,13,15,30|
Show InChI InChI=1S/C57H89NO16/c1-12-41-22-23-42-30-46(69-9)35(3)19-15-13-14-18-34(2)26-38(6)49(62)51(71-11)50(63)39(7)27-36(4)44(61)31-47(72-54(66)43-20-16-17-25-58(43)53(65)52(64)57(41,68)74-42)37(5)28-40-21-24-45(48(29-40)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,27,34,36-38,40-43,45-48,50-51,59-60,63,68H,12,16-17,20-26,28-33H2,1-11H3/b15-13+,18-14+,35-19+,39-27+/t34-,36-,37-,38-,40+,41-,42+,43+,45-,46+,47+,48-,50-,51+,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay


J Nat Prod 74: 547-53 (2011)


Article DOI: 10.1021/np1003388
BindingDB Entry DOI: 10.7270/Q2DB825W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343414
PNG
(CHEMBL1774942 | homotemsirolimus C)
Show SMILES CC[C@@H]1\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]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC1=O)[C@H](C)C[C@@H]1CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C1)OC)OC |r,c:3,22,t:18,20|
Show InChI InChI=1S/C57H89NO16/c1-12-41-28-38(6)50(63)51(71-11)49(62)37(5)26-34(2)18-14-13-15-19-35(3)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(41)61)36(4)27-40-22-24-45(48(29-40)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,28,34,36-37,39-43,45-48,50-51,59-60,63,68H,12,16-17,20-27,29-33H2,1-11H3/b15-13+,18-14+,35-19+,38-28+/t34-,36-,37-,39-,40+,41-,42+,43+,45-,46+,47+,48-,50-,51+,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay


J Nat Prod 74: 547-53 (2011)


Article DOI: 10.1021/np1003388
BindingDB Entry DOI: 10.7270/Q2DB825W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343415
PNG
(CHEMBL1774941 | homotemsirolimus B)
Show SMILES CC[C@H]1C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)\C(C)=C\C=C\C=C\1)[C@H](C)C[C@@H]1CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C1)OC |r,t:14,50,52,54|
Show InChI InChI=1S/C57H89NO16/c1-12-40-19-15-13-14-18-34(2)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(61)35(3)26-37(5)49(62)51(71-11)50(63)38(6)28-40)36(4)27-41-22-24-45(48(29-41)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,26,35-36,38-43,45-49,51,59-60,62,68H,12,16-17,20-25,27-33H2,1-11H3/b14-13+,19-15+,34-18+,37-26+/t35-,36-,38-,39-,40-,41+,42+,43+,45-,46+,47+,48-,49-,51-,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay


J Nat Prod 74: 547-53 (2011)


Article DOI: 10.1021/np1003388
BindingDB Entry DOI: 10.7270/Q2DB825W
More data for this
Ligand-Target Pair