BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 61 hits of ec50 data for polymerid = 2391   
Target
(Institution)
LigandTarget
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
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079777
PNG
((E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-All...)
Show SMILES CO[C@@H]1CC(CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\C(CC=C)C(=O)C[C@@H](O)[C@H]1C)OC
Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30?,31?,32-,33+,34+,36+,37-,38-,39+,40+,44+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36608
PNG
(Rapamycin C-7, analog 1)
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]1O
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42-,43+,44-,46-,47+,51-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.600n/an/an/a 1n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50068939
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined


Bioorg Med Chem Lett 8: 2253-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50068939
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/an/an/a 1.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50068939
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/an/an/a 1.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50068939
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand


Bioorg Med Chem Lett 9: 2085-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36623
PNG
(Rapamycin C-7, analog 12)
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)\CC[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
Show InChI InChI=1S/C50H77NO12/c1-30-15-11-10-12-16-31(2)25-34(5)44(54)46(61-9)45(55)35(6)26-32(3)41(53)29-42(33(4)27-37-20-23-40(52)43(28-37)60-8)62-49(58)39-17-13-14-24-51(39)48(57)47(56)50(59)36(7)19-22-38(63-50)21-18-30/h10-12,15-16,26,31-34,36-40,42-43,45-46,52,55,59H,13-14,17-25,27-29H2,1-9H3/b11-10+,16-12+,30-15+,35-26+/t31-,32-,33-,34-,36-,37+,38-,39+,40-,42+,43-,45-,46+,50-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1n/an/an/a 2n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284197
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCC=C
Show InChI InChI=1S/C45H71NO12/c1-10-18-56-37-24-31(15-16-34(37)47)22-28(5)40-30(7)35(48)25-36(49)32(11-2)20-26(3)19-27(4)21-38(54-8)41-39(55-9)23-29(6)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40/h10,20,22,27,29-35,37-41,47-48,53H,1,11-19,21,23-25H2,2-9H3/b26-20+,28-22+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 2.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284185
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C
Show InChI InChI=1S/C45H73NO12/c1-11-32-19-26(4)18-27(5)20-38(54-9)41-39(55-10)22-29(7)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40(30(8)35(48)24-36(32)49)28(6)21-31-15-16-34(47)37(23-31)56-25(2)3/h19,21,25,27,29-35,37-41,47-48,53H,11-18,20,22-24H2,1-10H3/b26-19+,28-21+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 3.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FKBP12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36612
PNG
(Rapamycin C-7, analog 6a)
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)SC)CC[C@H]1O
Show InChI InChI=1S/C51H79NO12S/c1-30-16-12-11-13-17-31(2)44(65-10)28-38-21-19-36(7)51(60,64-38)48(57)49(58)52-23-15-14-18-39(52)50(59)63-42(33(4)26-37-20-22-40(53)43(27-37)61-8)29-41(54)32(3)25-35(6)46(56)47(62-9)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43-,44-,46-,47+,51-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1n/an/an/a 4n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36613
PNG
(Rapamycin C-7, analog 6b)
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)SC)CC[C@H]1O
Show InChI InChI=1S/C51H79NO12S/c1-30-16-12-11-13-17-31(2)44(65-10)28-38-21-19-36(7)51(60,64-38)48(57)49(58)52-23-15-14-18-39(52)50(59)63-42(33(4)26-37-20-22-40(53)43(27-37)61-8)29-41(54)32(3)25-35(6)46(56)47(62-9)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43-,44+,46-,47+,51-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1n/an/an/a 4n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284186
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1ccco1
Show InChI InChI=1S/C47H71NO13/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,61-43)44(52)45(53)48-17-11-10-14-35(48)46(54)60-42(31(6)37(50)25-38(33)51)29(4)22-32-15-16-36(49)39(24-32)59-26-34-13-12-18-58-34/h12-13,18,20,22,28,30-33,35-37,39-43,49-50,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 4.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50403374
PNG
(CHEMBL2062149 | L-683742)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@H](O)C1
Show InChI InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-35(52-7)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37+,38+,42+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079765
PNG
(C32-O-Phenalkyl ether derivative of Ascomycin | C3...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C50H75NO12/c1-10-37-23-30(2)22-31(3)24-43(59-8)46-44(60-9)26-33(5)50(57,63-46)47(54)48(55)51-21-15-14-18-38(51)49(56)62-45(34(6)39(52)28-40(37)53)32(4)25-36-19-20-41(42(27-36)58-7)61-29-35-16-12-11-13-17-35/h11-13,16-17,23,25,31,33-34,36-39,41-46,52,57H,10,14-15,18-22,24,26-29H2,1-9H3/b30-23+,32-25+/t31-,33+,34+,36-,37+,38-,39-,41+,42+,43-,44-,45+,46+,50+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 5.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand


Bioorg Med Chem Lett 9: 2085-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284198
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1ccsc1
Show InChI InChI=1S/C47H71NO12S/c1-9-34-19-27(2)18-28(3)20-40(56-7)43-41(57-8)22-30(5)47(55,60-43)44(52)45(53)48-16-11-10-12-35(48)46(54)59-42(31(6)37(50)24-38(34)51)29(4)21-32-13-14-36(49)39(23-32)58-25-33-15-17-61-26-33/h15,17,19,21,26,28,30-32,34-37,39-43,49-50,55H,9-14,16,18,20,22-25H2,1-8H3/b27-19+,29-21+/t28-,30-,31+,32-,34+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 5.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36625
PNG
(Rapamycin C-7, analog 14a)
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)OCc2ccccc2)CC[C@H]1O
Show InChI InChI=1S/C57H83NO13/c1-35-18-12-10-13-19-36(2)48(69-34-42-20-14-11-15-21-42)32-44-25-23-41(7)57(66,71-44)54(63)55(64)58-27-17-16-22-45(58)56(65)70-49(38(4)30-43-24-26-46(59)50(31-43)67-8)33-47(60)37(3)29-40(6)52(62)53(68-9)51(61)39(5)28-35/h10-15,18-21,29,35,37-39,41,43-46,48-50,52-53,59,62,66H,16-17,22-28,30-34H2,1-9H3/b13-10+,18-12+,36-19+,40-29+/t35-,37-,38-,39-,41-,43+,44+,45+,46-,48-,49+,50-,52-,53+,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5n/an/an/a 6n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284193
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCC=C)[C@H](O)C1
Show InChI InChI=1S/C45H71NO12/c1-10-18-56-37-16-15-31(24-36(37)49)22-28(5)40-30(7)34(47)25-35(48)32(11-2)20-26(3)19-27(4)21-38(54-8)41-39(55-9)23-29(6)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40/h10,20,22,27,29-34,36-41,47,49,53H,1,11-19,21,23-25H2,2-9H3/b26-20+,28-22+/t27-,29-,30+,31-,32+,33-,34-,36+,37+,38-,39-,40+,41+,45?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 6.10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284194
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C=C
Show InChI InChI=1S/C46H73NO12/c1-11-30(7)57-38-24-32(16-17-35(38)48)22-28(5)41-31(8)36(49)25-37(50)33(12-2)20-26(3)19-27(4)21-39(55-9)42-40(56-10)23-29(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h11,20,22,27,29-36,38-42,48-49,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29-,30?,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 6.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284192
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC\C=C\C
Show InChI InChI=1S/C46H73NO12/c1-10-12-19-57-38-25-32(16-17-35(38)48)23-29(5)41-31(7)36(49)26-37(50)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-36,38-42,48-49,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 7n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50071466
PNG
(Ascomycin derivative | CHEMBL386482)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2nccn2Cc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C54H79N3O12/c1-10-40-25-33(2)24-34(3)26-46(65-8)50-47(66-9)28-36(5)54(63,69-50)51(60)52(61)57-22-15-14-18-41(57)53(62)68-49(37(6)42(58)30-43(40)59)35(4)27-39-19-20-44(45(29-39)64-7)67-32-48-55-21-23-56(48)31-38-16-12-11-13-17-38/h11-13,16-17,21,23,25,27,34,36-37,39-42,44-47,49-50,58,63H,10,14-15,18-20,22,24,26,28-32H2,1-9H3/b33-25+,35-27+/t34-,36+,37+,39-,40+,41-,42-,44+,45+,46-,47-,49+,50+,54+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 7.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined


Bioorg Med Chem Lett 8: 2253-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079780
PNG
(12-(2-{4-[2-(3,5-Dimethyl-phenyl)-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC
Show InChI InChI=1S/C53H81NO13/c1-12-38-21-30(2)20-33(5)24-46(63-10)49-47(64-11)26-35(7)53(61,67-49)50(58)51(59)54-18-14-13-15-40(54)52(60)66-48(36(8)41(55)28-42(38)56)34(6)25-37-16-17-44(45(27-37)62-9)65-29-43(57)39-22-31(3)19-32(4)23-39/h19,21-23,25,33,35-38,40-41,43-49,55,57,61H,12-18,20,24,26-29H2,1-11H3/b30-21+,34-25+/t33-,35+,36+,37?,38+,40-,41+,43+,44+,45+,46-,47-,48+,49+,53+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 7.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079778
PNG
(12-(2-{4-[2-(3,4-Difluoro-phenyl)-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC
Show InChI InChI=1S/C51H75F2NO13/c1-10-34-20-28(2)19-29(3)21-44(63-8)47-45(64-9)23-31(5)51(61,67-47)48(58)49(59)54-18-12-11-13-38(54)50(60)66-46(32(6)39(55)26-40(34)56)30(4)22-33-14-17-42(43(24-33)62-7)65-27-41(57)35-15-16-36(52)37(53)25-35/h15-16,20,22,25,29,31-34,38-39,41-47,55,57,61H,10-14,17-19,21,23-24,26-27H2,1-9H3/b28-20+,30-22+/t29-,31+,32+,33?,34+,38-,39+,41+,42+,43+,44-,45-,46+,47+,51+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 7.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079774
PNG
(12-(2-{4-[2-(3,5-Dimethyl-phenyl)-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC
Show InChI InChI=1S/C53H81NO13/c1-12-38-21-30(2)20-33(5)24-46(63-10)49-47(64-11)26-35(7)53(61,67-49)50(58)51(59)54-18-14-13-15-40(54)52(60)66-48(36(8)41(55)28-42(38)56)34(6)25-37-16-17-44(45(27-37)62-9)65-29-43(57)39-22-31(3)19-32(4)23-39/h19,21-23,25,33,35-38,40-41,43-49,55,57,61H,12-18,20,24,26-29H2,1-11H3/b30-21+,34-25+/t33-,35+,36+,37?,38+,40-,41+,43-,44+,45+,46-,47-,48+,49+,53+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 9n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284189
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\C)[C@H](O)C1
Show InChI InChI=1S/C46H73NO12/c1-10-12-19-57-38-17-16-32(25-37(38)50)23-29(5)41-31(7)35(48)26-36(49)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-35,37-42,48,50,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35-,37+,38+,39-,40-,41+,42+,46?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 9.20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079770
PNG
(C32-O-Phenalkyl ether derivative of Ascomycin | CH...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCCc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C51H77NO12/c1-10-38-25-31(2)24-32(3)26-44(60-8)47-45(61-9)28-34(5)51(58,64-47)48(55)49(56)52-22-15-14-18-39(52)50(57)63-46(35(6)40(53)30-41(38)54)33(4)27-37-19-20-42(43(29-37)59-7)62-23-21-36-16-12-11-13-17-36/h11-13,16-17,25,27,32,34-35,37-40,42-47,53,58H,10,14-15,18-24,26,28-30H2,1-9H3/b31-25+,33-27+/t32-,34+,35+,37-,38+,39-,40-,42+,43+,44-,45-,46+,47+,51+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 9.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand


Bioorg Med Chem Lett 9: 2085-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36610
PNG
(Rapamycin C-7, analog 5a)
Show SMILES CCO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=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=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C52H81NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,57,61H,11,15-16,19-25,27-30H2,1-10H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,43-,44+,45-,47-,48+,52-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.5n/an/an/a 10n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284190
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1cccs1
Show InChI InChI=1S/C47H71NO12S/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,60-43)44(52)45(53)48-17-11-10-14-35(48)46(54)59-42(31(6)37(50)25-38(33)51)29(4)22-32-15-16-36(49)39(24-32)58-26-34-13-12-18-61-34/h12-13,18,20,22,28,30-33,35-37,39-43,49-50,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36621
PNG
(Rapamycin C-7, analog 11a)
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)c2ccc[nH]2)CC[C@H]1O
Show InChI InChI=1S/C54H80N2O12/c1-32-16-11-10-12-17-33(2)41(42-18-15-24-55-42)30-40-22-20-38(7)54(64,68-40)51(61)52(62)56-25-14-13-19-43(56)53(63)67-46(35(4)28-39-21-23-44(57)47(29-39)65-8)31-45(58)34(3)27-37(6)49(60)50(66-9)48(59)36(5)26-32/h10-12,15-18,24,27,32,34-36,38-41,43-44,46-47,49-50,55,57,60,64H,13-14,19-23,25-26,28-31H2,1-9H3/b12-10+,16-11+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41-,43+,44-,46+,47-,49-,50+,54-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
10n/an/an/a 11n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079784
PNG
(12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cc3ccccc3s2)[C@@H](C1)OC
Show InChI InChI=1S/C53H77NO13S/c1-10-36-22-30(2)21-31(3)23-44(63-8)49-45(64-9)25-33(5)53(61,67-49)50(58)51(59)54-20-14-13-16-38(54)52(60)66-48(34(6)39(55)28-40(36)56)32(4)24-35-18-19-42(43(26-35)62-7)65-29-41(57)47-27-37-15-11-12-17-46(37)68-47/h11-12,15,17,22,24,27,31,33-36,38-39,41-45,48-49,55,57,61H,10,13-14,16,18-21,23,25-26,28-29H2,1-9H3/b30-22+,32-24+/t31-,33+,34+,35?,36+,38-,39+,41+,42+,43+,44-,45-,48+,49+,53+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 11.3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079783
PNG
(12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2cc3ccccc3s2)[C@@H](C1)OC
Show InChI InChI=1S/C53H77NO13S/c1-10-36-22-30(2)21-31(3)23-44(63-8)49-45(64-9)25-33(5)53(61,67-49)50(58)51(59)54-20-14-13-16-38(54)52(60)66-48(34(6)39(55)28-40(36)56)32(4)24-35-18-19-42(43(26-35)62-7)65-29-41(57)47-27-37-15-11-12-17-46(37)68-47/h11-12,15,17,22,24,27,31,33-36,38-39,41-45,48-49,55,57,61H,10,13-14,16,18-21,23,25-26,28-29H2,1-9H3/b30-22+,32-24+/t31-,33+,34+,35?,36+,38-,39+,41-,42+,43+,44-,45-,48+,49+,53+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284195
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccsc2)[C@H](O)C1
Show InChI InChI=1S/C47H71NO12S/c1-9-34-19-27(2)18-28(3)20-40(56-7)43-41(57-8)22-30(5)47(55,60-43)44(52)45(53)48-16-11-10-12-35(48)46(54)59-42(31(6)36(49)24-37(34)50)29(4)21-32-13-14-39(38(51)23-32)58-25-33-15-17-61-26-33/h15,17,19,21,26,28,30-32,34-36,38-43,49,51,55H,9-14,16,18,20,22-25H2,1-8H3/b27-19+,29-21+/t28-,30-,31+,32-,34+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 12n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284188
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2cccs2)[C@H](O)C1
Show InChI InChI=1S/C47H71NO12S/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,60-43)44(52)45(53)48-17-11-10-14-35(48)46(54)59-42(31(6)36(49)25-37(33)50)29(4)22-32-15-16-39(38(51)24-32)58-26-34-13-12-18-61-34/h12-13,18,20,22,28,30-33,35-36,38-43,49,51,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 12n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50071450
PNG
(Ascomycin derivative | CHEMBL385568)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCOCc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C51H77NO13/c1-10-38-23-31(2)22-32(3)24-44(60-8)47-45(61-9)26-34(5)51(58,65-47)48(55)49(56)52-21-15-14-18-39(52)50(57)64-46(35(6)40(53)28-41(38)54)33(4)25-37-19-20-42(43(27-37)59-7)63-30-62-29-36-16-12-11-13-17-36/h11-13,16-17,23,25,32,34-35,37-40,42-47,53,58H,10,14-15,18-22,24,26-30H2,1-9H3/b31-23+,33-25+/t32-,34+,35+,37-,38+,39-,40-,42+,43+,44-,45-,46+,47+,51+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined


Bioorg Med Chem Lett 8: 2253-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079766
PNG
(17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[2-(3-m...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C49H73NO12/c1-10-35-23-29(2)22-30(3)24-42(58-8)45-43(59-9)26-32(5)49(56,62-45)46(53)47(54)50-21-15-14-18-37(50)48(55)61-44(33(6)38(51)28-39(35)52)31(4)25-34-19-20-40(41(27-34)57-7)60-36-16-12-11-13-17-36/h11-13,16-17,23,25,30,32-35,37-38,40-45,51,56H,10,14-15,18-22,24,26-28H2,1-9H3/b29-23+,31-25+/t30-,32+,33+,34-,35+,37-,38-,40+,41+,42-,43-,44+,45+,49+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand


Bioorg Med Chem Lett 9: 2085-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079781
PNG
(12-(2-{4-[2-(3,4-Difluoro-phenyl)-2-hydroxy-ethoxy...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC
Show InChI InChI=1S/C51H75F2NO13/c1-10-34-20-28(2)19-29(3)21-44(63-8)47-45(64-9)23-31(5)51(61,67-47)48(58)49(59)54-18-12-11-13-38(54)50(60)66-46(32(6)39(55)26-40(34)56)30(4)22-33-14-17-42(43(24-33)62-7)65-27-41(57)35-15-16-36(52)37(53)25-35/h15-16,20,22,25,29,31-34,38-39,41-47,55,57,61H,10-14,17-19,21,23-24,26-27H2,1-9H3/b28-20+,30-22+/t29-,31+,32+,33?,34+,38-,39+,41-,42+,43+,44-,45-,46+,47+,51+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 13.6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284196
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC(C)C=C)[C@H](O)C1
Show InChI InChI=1S/C46H73NO12/c1-11-30(7)57-38-17-16-32(24-37(38)50)22-28(5)41-31(8)35(48)25-36(49)33(12-2)20-26(3)19-27(4)21-39(55-9)42-40(56-10)23-29(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h11,20,22,27,29-35,37-42,48,50,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29-,30?,31+,32-,33+,34-,35-,37+,38+,39-,40-,41+,42+,46?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 15n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284187
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccco2)[C@H](O)C1
Show InChI InChI=1S/C47H71NO13/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,61-43)44(52)45(53)48-17-11-10-14-35(48)46(54)60-42(31(6)36(49)25-37(33)50)29(4)22-32-15-16-39(38(51)24-32)59-26-34-13-12-18-58-34/h12-13,18,20,22,28,30-33,35-36,38-43,49,51,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 16n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079779
PNG
(17-Ethyl-1,14-dihydroxy-12-{2-[4-(2-hydroxy-2-naph...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC
Show InChI InChI=1S/C55H79NO13/c1-10-38-24-32(2)23-33(3)25-48(65-8)51-49(66-9)27-35(5)55(63,69-51)52(60)53(61)56-22-14-13-17-42(56)54(62)68-50(36(6)43(57)30-44(38)58)34(4)26-37-18-21-46(47(28-37)64-7)67-31-45(59)41-20-19-39-15-11-12-16-40(39)29-41/h11-12,15-16,19-20,24,26,29,33,35-38,42-43,45-51,57,59,63H,10,13-14,17-18,21-23,25,27-28,30-31H2,1-9H3/b32-24+,34-26+/t33-,35+,36+,37?,38+,42-,43+,45-,46+,47+,48-,49-,50+,51+,55+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36619
PNG
(Rapamycin C-7, analog 10a)
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)c2ccco2)CC[C@H]1O
Show InChI InChI=1S/C54H79NO13/c1-32-16-11-10-12-17-33(2)41(45-19-15-25-66-45)30-40-22-20-38(7)54(63,68-40)51(60)52(61)55-24-14-13-18-42(55)53(62)67-46(35(4)28-39-21-23-43(56)47(29-39)64-8)31-44(57)34(3)27-37(6)49(59)50(65-9)48(58)36(5)26-32/h10-12,15-17,19,25,27,32,34-36,38-43,46-47,49-50,56,59,63H,13-14,18,20-24,26,28-31H2,1-9H3/b12-10+,16-11+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41-,42+,43-,46+,47-,49-,50+,54-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3n/an/an/a 20n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36620
PNG
(Rapamycin C-7, analog 10b)
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)c2ccco2)CC[C@H]1O
Show InChI InChI=1S/C54H79NO13/c1-32-16-11-10-12-17-33(2)41(45-19-15-25-66-45)30-40-22-20-38(7)54(63,68-40)51(60)52(61)55-24-14-13-18-42(55)53(62)67-46(35(4)28-39-21-23-43(56)47(29-39)64-8)31-44(57)34(3)27-37(6)49(59)50(65-9)48(58)36(5)26-32/h10-12,15-17,19,25,27,32,34-36,38-43,46-47,49-50,56,59,63H,13-14,18,20-24,26,28-31H2,1-9H3/b12-10+,16-11+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,42+,43-,46+,47-,49-,50+,54-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
6n/an/an/a 20n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50071451
PNG
(Ascomycin derivative | C32-O-cinnamyl ether analog...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccc(O)cc2)[C@@H](C1)OC
Show InChI InChI=1S/C52H77NO13/c1-10-38-25-31(2)24-32(3)26-45(62-8)48-46(63-9)28-34(5)52(60,66-48)49(57)50(58)53-22-12-11-15-40(53)51(59)65-47(35(6)41(55)30-42(38)56)33(4)27-37-18-21-43(44(29-37)61-7)64-23-13-14-36-16-19-39(54)20-17-36/h13-14,16-17,19-20,25,27,32,34-35,37-38,40-41,43-48,54-55,60H,10-12,15,18,21-24,26,28-30H2,1-9H3/b14-13+,31-25+,33-27+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 20.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079775
PNG
(17-Ethyl-1,14-dihydroxy-12-{2-[4-(2-hydroxy-2-naph...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC
Show InChI InChI=1S/C55H79NO13/c1-10-38-24-32(2)23-33(3)25-48(65-8)51-49(66-9)27-35(5)55(63,69-51)52(60)53(61)56-22-14-13-17-42(56)54(62)68-50(36(6)43(57)30-44(38)58)34(4)26-37-18-21-46(47(28-37)64-7)67-31-45(59)41-20-19-39-15-11-12-16-40(39)29-41/h11-12,15-16,19-20,24,26,29,33,35-38,42-43,45-51,57,59,63H,10,13-14,17-18,21-23,25,27-28,30-31H2,1-9H3/b32-24+,34-26+/t33-,35+,36+,37?,38+,42-,43+,45+,46+,47+,48-,49-,50+,51+,55+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 21.1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50071465
PNG
(Ascomycin derivative | CHEMBL428499)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2nc(c[nH]2)-c2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C53H77N3O12/c1-10-37-23-31(2)22-32(3)24-45(64-8)49-46(65-9)26-34(5)53(62,68-49)50(59)51(60)56-21-15-14-18-40(56)52(61)67-48(35(6)41(57)28-42(37)58)33(4)25-36-19-20-43(44(27-36)63-7)66-30-47-54-29-39(55-47)38-16-12-11-13-17-38/h11-13,16-17,23,25,29,32,34-37,40-41,43-46,48-49,57,62H,10,14-15,18-22,24,26-28,30H2,1-9H3,(H,54,55)/b31-23+,33-25+/t32-,34+,35+,36-,37+,40-,41-,43+,44+,45-,46-,48+,49+,53+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined


Bioorg Med Chem Lett 8: 2253-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284184
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccc(Br)cc2)[C@@H](C1)OC
Show InChI InChI=1S/C52H76BrNO12/c1-10-38-25-31(2)24-32(3)26-45(62-8)48-46(63-9)28-34(5)52(60,66-48)49(57)50(58)54-22-12-11-15-40(54)51(59)65-47(35(6)41(55)30-42(38)56)33(4)27-37-18-21-43(44(29-37)61-7)64-23-13-14-36-16-19-39(53)20-17-36/h13-14,16-17,19-20,25,27,32,34-35,37-38,40-41,43-48,55,60H,10-12,15,18,21-24,26,28-30H2,1-9H3/b14-13+,31-25+,33-27+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 23n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS)
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]1O
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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

AffyNet 
PDB
Article
PubMed
1n/an/an/a 30n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50071463
PNG
(Ascomycin derivative | C32-O-cinnamyl ether analog...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C52H77NO12/c1-10-39-26-32(2)25-33(3)27-45(61-8)48-46(62-9)29-35(5)52(59,65-48)49(56)50(57)53-23-15-14-20-40(53)51(58)64-47(36(6)41(54)31-42(39)55)34(4)28-38-21-22-43(44(30-38)60-7)63-24-16-19-37-17-12-11-13-18-37/h11-13,16-19,26,28,33,35-36,38-41,43-48,54,59H,10,14-15,20-25,27,29-31H2,1-9H3/b19-16+,32-26+,34-28+/t33-,35+,36+,38-,39+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined


Bioorg Med Chem Lett 8: 2253-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079767
PNG
(C32-O-Phenalkyl ether derivative of Ascomycin | C3...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCCCc2ccccc2)[C@@H](C1)OC
Show InChI InChI=1S/C52H79NO12/c1-10-39-26-32(2)25-33(3)27-45(61-8)48-46(62-9)29-35(5)52(59,65-48)49(56)50(57)53-23-15-14-20-40(53)51(58)64-47(36(6)41(54)31-42(39)55)34(4)28-38-21-22-43(44(30-38)60-7)63-24-16-19-37-17-12-11-13-18-37/h11-13,17-18,26,28,33,35-36,38-41,43-48,54,59H,10,14-16,19-25,27,29-31H2,1-9H3/b32-26+,34-28+/t33-,35+,36+,38-,39+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 32n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand


Bioorg Med Chem Lett 9: 2085-8 (1999)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50284183
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2cccc(c2)[N+]([O-])=O)[C@@H](C1)OC
Show InChI InChI=1S/C52H76N2O14/c1-10-38-24-31(2)23-32(3)25-45(64-8)48-46(65-9)27-34(5)52(60,68-48)49(57)50(58)53-21-12-11-18-40(53)51(59)67-47(35(6)41(55)30-42(38)56)33(4)26-37-19-20-43(44(29-37)63-7)66-22-14-16-36-15-13-17-39(28-36)54(61)62/h13-17,24,26,28,32,34-35,37-38,40-41,43-48,55,60H,10-12,18-23,25,27,29-30H2,1-9H3/b16-14+,31-24+,33-26+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/an/an/a 34.3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM36627
PNG
(Rapamycin C-7, analog 16a)
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)OCc2ccc(Cl)cc2)CC[C@H]1O
Show InChI InChI=1S/C57H82ClNO13/c1-34-15-11-10-12-16-35(2)48(70-33-41-19-22-43(58)23-20-41)31-44-24-18-40(7)57(67,72-44)54(64)55(65)59-26-14-13-17-45(59)56(66)71-49(37(4)29-42-21-25-46(60)50(30-42)68-8)32-47(61)36(3)28-39(6)52(63)53(69-9)51(62)38(5)27-34/h10-12,15-16,19-20,22-23,28,34,36-38,40,42,44-46,48-50,52-53,60,63,67H,13-14,17-18,21,24-27,29-33H2,1-9H3/b12-10+,15-11+,35-16+,39-28+/t34-,36-,37-,38-,40-,42+,44+,45+,46-,48-,49+,50-,52-,53+,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1n/an/an/a 45n/an/an/an/a



SmithKline Beecham Pharmaceuticals



Assay Description
FKBP12 assay using rapamycin analogs.


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50079776
PNG
(17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-t...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC
Show InChI InChI=1S/C52H76F3NO13/c1-10-35-21-29(2)20-30(3)22-44(65-8)47-45(66-9)24-32(5)51(63,69-47)48(60)49(61)56-19-12-11-16-38(56)50(62)68-46(33(6)39(57)27-40(35)58)31(4)23-34-17-18-42(43(25-34)64-7)67-28-41(59)36-14-13-15-37(26-36)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-47,57,59,63H,10-12,16-20,22,24-25,27-28H2,1-9H3/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39+,41+,42+,43+,44-,45-,46+,47+,51+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a 45n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506


Bioorg Med Chem Lett 9: 2089-94 (1999)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>
Jump to: