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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'pietranico-cole' 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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064025
PNG
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)
Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064025
PNG
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)
Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064025
PNG
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)
Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50051567
PNG
(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064025
PNG
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)
Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50051578
PNG
(5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O5/c36-19-10-3-11-20-38-26-34-32(40-24-27-12-4-1-5-13-27)22-33(41-25-28-14-6-2-7-15-28)35(42-34)39-21-18-29-23-37-31-17-9-8-16-30(29)31/h1-2,4-9,12-17,23,32-35,37H,3,10-11,18-22,24-26,36H2/t32-,33+,34+,35+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50051567
PNG
(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064024
PNG
(5-{(2S,3S,4R,5R,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41+,42-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064026
PNG
(5-{(2S,3S,4R,5S,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064025
PNG
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)
Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064024
PNG
(5-{(2S,3S,4R,5R,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41+,42-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064026
PNG
(5-{(2S,3S,4R,5S,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50051567
PNG
(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064029
PNG
(5-{(2R,3S,5R,6R)-3-Benzyloxy-5-(1H-imidazol-4-ylme...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C32H42N4O5/c33-14-7-2-8-15-37-22-31-29(39-20-24-9-3-1-4-10-24)17-30(40-21-26-19-34-23-36-26)32(41-31)38-16-13-25-18-35-28-12-6-5-11-27(25)28/h1,3-6,9-12,18-19,23,29-32,35H,2,7-8,13-17,20-22,33H2,(H,34,36)/t29-,30+,31+,32+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50051578
PNG
(5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O5/c36-19-10-3-11-20-38-26-34-32(40-24-27-12-4-1-5-13-27)22-33(41-25-28-14-6-2-7-15-28)35(42-34)39-21-18-29-23-37-31-17-9-8-16-30(29)31/h1-2,4-9,12-17,23,32-35,37H,3,10-11,18-22,24-26,36H2/t32-,33+,34+,35+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064024
PNG
(5-{(2S,3S,4R,5R,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41+,42-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50051578
PNG
(5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O5/c36-19-10-3-11-20-38-26-34-32(40-24-27-12-4-1-5-13-27)22-33(41-25-28-14-6-2-7-15-28)35(42-34)39-21-18-29-23-37-31-17-9-8-16-30(29)31/h1-2,4-9,12-17,23,32-35,37H,3,10-11,18-22,24-26,36H2/t32-,33+,34+,35+/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064026
PNG
(5-{(2S,3S,4R,5S,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50051567
PNG
(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064024
PNG
(5-{(2S,3S,4R,5R,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41+,42-/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064024
PNG
(5-{(2S,3S,4R,5R,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41+,42-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50051567
PNG
(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064029
PNG
(5-{(2R,3S,5R,6R)-3-Benzyloxy-5-(1H-imidazol-4-ylme...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C32H42N4O5/c33-14-7-2-8-15-37-22-31-29(39-20-24-9-3-1-4-10-24)17-30(40-21-26-19-34-23-36-26)32(41-31)38-16-13-25-18-35-28-12-6-5-11-27(25)28/h1,3-6,9-12,18-19,23,29-32,35H,2,7-8,13-17,20-22,33H2,(H,34,36)/t29-,30+,31+,32+/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50051578
PNG
(5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O5/c36-19-10-3-11-20-38-26-34-32(40-24-27-12-4-1-5-13-27)22-33(41-25-28-14-6-2-7-15-28)35(42-34)39-21-18-29-23-37-31-17-9-8-16-30(29)31/h1-2,4-9,12-17,23,32-35,37H,3,10-11,18-22,24-26,36H2/t32-,33+,34+,35+/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064026
PNG
(5-{(2S,3S,4R,5S,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064029
PNG
(5-{(2R,3S,5R,6R)-3-Benzyloxy-5-(1H-imidazol-4-ylme...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C32H42N4O5/c33-14-7-2-8-15-37-22-31-29(39-20-24-9-3-1-4-10-24)17-30(40-21-26-19-34-23-36-26)32(41-31)38-16-13-25-18-35-28-12-6-5-11-27(25)28/h1,3-6,9-12,18-19,23,29-32,35H,2,7-8,13-17,20-22,33H2,(H,34,36)/t29-,30+,31+,32+/m0/s1
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4.60E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50051578
PNG
(5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C35H44N2O5/c36-19-10-3-11-20-38-26-34-32(40-24-27-12-4-1-5-13-27)22-33(41-25-28-14-6-2-7-15-28)35(42-34)39-21-18-29-23-37-31-17-9-8-16-30(29)31/h1-2,4-9,12-17,23,32-35,37H,3,10-11,18-22,24-26,36H2/t32-,33+,34+,35+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064029
PNG
(5-{(2R,3S,5R,6R)-3-Benzyloxy-5-(1H-imidazol-4-ylme...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C32H42N4O5/c33-14-7-2-8-15-37-22-31-29(39-20-24-9-3-1-4-10-24)17-30(40-21-26-19-34-23-36-26)32(41-31)38-16-13-25-18-35-28-12-6-5-11-27(25)28/h1,3-6,9-12,18-19,23,29-32,35H,2,7-8,13-17,20-22,33H2,(H,34,36)/t29-,30+,31+,32+/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064026
PNG
(5-{(2S,3S,4R,5S,6S)-3,4,5-Tris-benzyloxy-6-[2-(1H-...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C42H50N2O6/c43-24-13-4-14-25-45-31-38-39(47-28-32-15-5-1-6-16-32)40(48-29-33-17-7-2-8-18-33)41(49-30-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064029
PNG
(5-{(2R,3S,5R,6R)-3-Benzyloxy-5-(1H-imidazol-4-ylme...)
Show SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C32H42N4O5/c33-14-7-2-8-15-37-22-31-29(39-20-24-9-3-1-4-10-24)17-30(40-21-26-19-34-23-36-26)32(41-31)38-16-13-25-18-35-28-12-6-5-11-27(25)28/h1,3-6,9-12,18-19,23,29-32,35H,2,7-8,13-17,20-22,33H2,(H,34,36)/t29-,30+,31+,32+/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50064035
PNG
((5S,8R,11S,14R,17S,19aS)-5-Benzyl-11-(4-fluoro-ben...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C51H52FN7O7/c1-30(60)45-50(65)57-43(26-31-11-3-2-4-12-31)51(66)59-24-10-19-44(59)49(64)56-41(27-34-15-9-14-33-13-5-6-16-37(33)34)46(61)55-42(28-35-29-53-39-18-8-7-17-38(35)39)47(62)54-40(48(63)58-45)25-32-20-22-36(52)23-21-32/h2-9,11-18,20-23,29-30,40-45,53,60H,10,19,24-28H2,1H3,(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,58,63)/t30-,40+,41+,42-,43+,44+,45-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity was measured for Tachykinin receptor 1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018759
PNG
(CHEMBL3291350)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cccc(I)c1)n3C)C2(C)C |r|
Show InChI InChI=1S/C18H21IN2O/c1-17(2)13-8-9-18(17,3)15-14(13)16(22)21(20(15)4)12-7-5-6-11(19)10-12/h5-7,10,13H,8-9H2,1-4H3/t13-,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018760
PNG
(CHEMBL3291357)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1ccccc1C(F)(F)F)n3C)C2(C)C |r|
Show InChI InChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3/t14-,19+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018761
PNG
(CHEMBL3291348)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cc(Cl)ccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(16.87,-14.9,;16.87,-13.4,;18.16,-12.66,;18.16,-11.16,;16.87,-10.41,;16.45,-8.98,;15.58,-11.16,;15.58,-12.66,;14.16,-13.12,;13.7,-14.54,;13.28,-11.91,;11.73,-11.9,;10.97,-13.24,;9.43,-13.25,;8.66,-14.58,;8.65,-11.9,;9.43,-10.56,;10.97,-10.57,;11.75,-9.23,;14.16,-10.7,;13.68,-9.23,;17.73,-11.9,;19.22,-12.76,;19.22,-11.04,)|
Show InChI InChI=1S/C18H20Cl2N2O/c1-17(2)11-7-8-18(17,3)15-14(11)16(23)22(21(15)4)13-9-10(19)5-6-12(13)20/h5-6,9,11H,7-8H2,1-4H3/t11-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018793
PNG
(CHEMBL3291344)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1F)n3Cc1ccccc1)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.96,-10.25,;20.96,-8.75,;19.67,-8,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.95,-10.71,;16.5,-12.13,;16.08,-9.5,;14.53,-9.5,;13.77,-10.83,;12.23,-10.84,;11.45,-9.49,;12.23,-8.16,;13.77,-8.16,;14.55,-6.83,;16.96,-8.29,;16.48,-6.82,;17.51,-5.68,;19.01,-6,;20.04,-4.85,;19.56,-3.38,;18.04,-3.07,;17.02,-4.22,;20.53,-9.49,;22.02,-10.35,;22.02,-8.63,)|
Show InChI InChI=1S/C24H25FN2O/c1-23(2)17-13-14-24(23,3)21-20(17)22(28)27(19-12-8-7-11-18(19)25)26(21)15-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3/t17-,24+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018761
PNG
(CHEMBL3291348)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cc(Cl)ccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(16.87,-14.9,;16.87,-13.4,;18.16,-12.66,;18.16,-11.16,;16.87,-10.41,;16.45,-8.98,;15.58,-11.16,;15.58,-12.66,;14.16,-13.12,;13.7,-14.54,;13.28,-11.91,;11.73,-11.9,;10.97,-13.24,;9.43,-13.25,;8.66,-14.58,;8.65,-11.9,;9.43,-10.56,;10.97,-10.57,;11.75,-9.23,;14.16,-10.7,;13.68,-9.23,;17.73,-11.9,;19.22,-12.76,;19.22,-11.04,)|
Show InChI InChI=1S/C18H20Cl2N2O/c1-17(2)11-7-8-18(17,3)15-14(11)16(23)22(21(15)4)13-9-10(19)5-6-12(13)20/h5-6,9,11H,7-8H2,1-4H3/t11-,18+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018759
PNG
(CHEMBL3291350)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cccc(I)c1)n3C)C2(C)C |r|
Show InChI InChI=1S/C18H21IN2O/c1-17(2)13-8-9-18(17,3)15-14(13)16(22)21(20(15)4)12-7-5-6-11(19)10-12/h5-7,10,13H,8-9H2,1-4H3/t13-,18+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018795
PNG
(CHEMBL3291339)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1)n3CC)C2(C)C |r|
Show InChI InChI=1S/C19H24N2O/c1-5-20-16-15(14-11-12-19(16,4)18(14,2)3)17(22)21(20)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-,19+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50018769
PNG
(CHEMBL3291346)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccc(F)cc1F)n3Cc1ccccc1)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.96,-10.25,;20.96,-8.75,;19.67,-8,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.95,-10.71,;16.5,-12.13,;16.08,-9.5,;14.53,-9.5,;13.77,-10.83,;12.23,-10.84,;11.45,-9.49,;9.91,-9.49,;12.23,-8.16,;13.77,-8.16,;14.55,-6.83,;16.96,-8.29,;16.48,-6.82,;17.51,-5.68,;19.01,-6,;20.04,-4.85,;19.56,-3.38,;18.04,-3.07,;17.02,-4.22,;20.53,-9.49,;22.02,-10.35,;22.02,-8.63,)|
Show InChI InChI=1S/C24H24F2N2O/c1-23(2)17-11-12-24(23,3)21-20(17)22(29)28(19-10-9-16(25)13-18(19)26)27(21)14-15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3/t17-,24+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018760
PNG
(CHEMBL3291357)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1ccccc1C(F)(F)F)n3C)C2(C)C |r|
Show InChI InChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3/t14-,19+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018797
PNG
(CHEMBL3291345)
Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1C(F)(F)F)n3C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;13.37,-6.66,;14.46,-5.57,;11.88,-6.27,;12.97,-5.16,;16.96,-8.3,;16.48,-6.83,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)|
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)12-9-10-18(17,3)15-14(12)16(25)24(23(15)4)13-8-6-5-7-11(13)19(20,21)22/h5-8,12H,9-10H2,1-4H3/t12-,18+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Bioorg Med Chem Lett 24: 2707-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF
More data for this
Ligand-Target Pair
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