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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'cammisuli' and Initial = 's'   
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))
BDBM50030448
PNG
(8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...)
Show SMILES CO[C@@H]1C[C@@H](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@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
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
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Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50153090
PNG
(CHEMBL411735 | Macrolide derivative)
Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(=O)OC)cc1 |t:40|
Show InChI InChI=1S/C58H88N2O13/c1-11-15-42-27-35(2)26-36(3)28-50(70-8)45-34-58(68,38(5)30-51(45)71-9)55(65)56(66)60-25-13-12-17-46(60)57(67)73-54(39(6)47(61)33-48(42)62)37(4)29-41-19-22-43(49(31-41)69-7)32-52(63)59-44-23-20-40(21-24-44)16-14-18-53(64)72-10/h11,20-21,23-24,27,36-39,41-43,45-47,49-51,54,61,68H,1,12-19,22,25-26,28-34H2,2-10H3,(H,59,63)/b35-27+/t36-,37?,38+,39+,41-,42+,43-,45?,46?,47-,49?,50-,51-,54+,58-/m0/s1
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n/an/a 1.45n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50153091
PNG
(CHEMBL265123 | Macrolide derivative)
Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(O)=O)cc1 |t:40|
Show InChI InChI=1S/C57H86N2O13/c1-10-14-41-26-34(2)25-35(3)27-49(70-8)44-33-57(68,37(5)29-50(44)71-9)54(65)55(66)59-24-12-11-16-45(59)56(67)72-53(38(6)46(60)32-47(41)61)36(4)28-40-18-21-42(48(30-40)69-7)31-51(62)58-43-22-19-39(20-23-43)15-13-17-52(63)64/h10,19-20,22-23,26,35-38,40-42,44-46,48-50,53,60,68H,1,11-18,21,24-25,27-33H2,2-9H3,(H,58,62)(H,63,64)/b34-26+/t35-,36?,37+,38+,40-,41+,42-,44?,45?,46-,48?,49-,50-,53+,57-/m0/s1
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n/an/a 1.88n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research and Novartis Pharma Development

Curated by ChEMBL


Assay Description
Inhibitory activity against macrophilin (FKBP-12)


J Med Chem 47: 4950-7 (2004)


Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038199
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038203
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzo...)
Show SMILES OC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C15H14O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h2,4-8,16-18H,1,3H2,(H,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038202
PNG
(5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-...)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1cc(O)ccc1O
Show InChI InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038205
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C15H15NO5/c1-21-15(20)12-7-10(2-4-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3
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n/an/a 2.44E+4n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038200
PNG
(5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzo...)
Show SMILES COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O
Show InChI InChI=1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038201
PNG
(5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hy...)
Show SMILES COC1CC=C(OC)C(COc2ccc(O)c(c2)C(=O)OC)=C1 |c:22,t:4|
Show InChI InChI=1S/C17H20O6/c1-20-12-5-7-16(21-2)11(8-12)10-23-13-4-6-15(18)14(9-13)17(19)22-3/h4,6-9,12,18H,5,10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038197
PNG
(5-(2,5-Dimethoxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES COc1ccc(OC)c(CNc2ccc(O)c(c2)C(O)=O)c1
Show InChI InChI=1S/C16H17NO5/c1-21-12-4-6-15(22-2)10(7-12)9-17-11-3-5-14(18)13(8-11)16(19)20/h3-8,17-18H,9H2,1-2H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038206
PNG
(5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hy...)
Show SMILES COC1CC=C(OC)C(COc2ccc(O)c(c2)C(O)=O)=C1 |c:21,t:4|
Show InChI InChI=1S/C16H18O6/c1-20-11-4-6-15(21-2)10(7-11)9-22-12-3-5-14(17)13(8-12)16(18)19/h3,5-8,11,17H,4,9H2,1-2H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair