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BDBM50261389 (4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-amino-butyl)-7,19,22-tribenzyl-10-((R)-1-hydroxy-ethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclohexacosane-4-carboxylic acid::CHEMBL500326

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O

InChI Key: InChIKey=PJRZZHKHLDKTKL-YXXMKNPKSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50261389   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50261389
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40+,41+,42+,43+,44-,45+,46+/m1/s1
KEGG

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PubMed
n/an/a 1n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst4 receptor expressed in CCL39 cells


J Med Chem 51: 2668-75 (2008)


Article DOI: 10.1021/jm701444y
BindingDB Entry DOI: 10.7270/Q2CF9R1G
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50261389
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40+,41+,42+,43+,44-,45+,46+/m1/s1
KEGG

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PC sid
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human cloned sst1 receptor


J Med Chem 51: 2668-75 (2008)


Article DOI: 10.1021/jm701444y
BindingDB Entry DOI: 10.7270/Q2CF9R1G
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50261389
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40+,41+,42+,43+,44-,45+,46+/m1/s1
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PubMed
n/an/a 9.5n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst5 receptor expressed in CHOK1 cells


J Med Chem 51: 2668-75 (2008)


Article DOI: 10.1021/jm701444y
BindingDB Entry DOI: 10.7270/Q2CF9R1G
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50261389
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40+,41+,42+,43+,44-,45+,46+/m1/s1
Reactome pathway
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UniChem

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PubMed
n/an/a 4.5n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst3 receptor expressed in CCL39 cells


J Med Chem 51: 2668-75 (2008)


Article DOI: 10.1021/jm701444y
BindingDB Entry DOI: 10.7270/Q2CF9R1G
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50261389
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Amino-13-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40+,41+,42+,43+,44-,45+,46+/m1/s1
PDB

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Article
PubMed
n/an/a 14.5n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst2 receptor expressed in CCL39 cells


J Med Chem 51: 2668-75 (2008)


Article DOI: 10.1021/jm701444y
BindingDB Entry DOI: 10.7270/Q2CF9R1G
More data for this
Ligand-Target Pair