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BDBM50261392 (4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-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::CHEMBL504457

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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O

InChI Key: InChIKey=HMHZOCNPBRZNJI-JLBWMKLDSA-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 = 50261392   
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 3


(Homo sapiens (Human))
BDBM50261392
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-...)
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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C56H68N10O11S2/c1-33(67)48-55(75)64-44(28-37-20-10-5-11-21-37)52(72)65-47(56(76)77)32-79-78-31-46(59-34(2)68)54(74)62-43(27-36-18-8-4-9-19-36)50(70)61-42(26-35-16-6-3-7-17-35)51(71)63-45(29-38-30-58-40-23-13-12-22-39(38)40)53(73)60-41(49(69)66-48)24-14-15-25-57/h3-13,16-23,30,33,41-48,58,67H,14-15,24-29,31-32,57H2,1-2H3,(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,69)(H,76,77)/t33-,41+,42+,43+,44+,45-,46+,47+,48+/m1/s1
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n/an/a 7.10n/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 4


(Homo sapiens (Human))
BDBM50261392
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-...)
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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C56H68N10O11S2/c1-33(67)48-55(75)64-44(28-37-20-10-5-11-21-37)52(72)65-47(56(76)77)32-79-78-31-46(59-34(2)68)54(74)62-43(27-36-18-8-4-9-19-36)50(70)61-42(26-35-16-6-3-7-17-35)51(71)63-45(29-38-30-58-40-23-13-12-22-39(38)40)53(73)60-41(49(69)66-48)24-14-15-25-57/h3-13,16-23,30,33,41-48,58,67H,14-15,24-29,31-32,57H2,1-2H3,(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,69)(H,76,77)/t33-,41+,42+,43+,44+,45-,46+,47+,48+/m1/s1
KEGG

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n/an/a 1.30n/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 2


(Homo sapiens (Human))
BDBM50261392
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-...)
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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C56H68N10O11S2/c1-33(67)48-55(75)64-44(28-37-20-10-5-11-21-37)52(72)65-47(56(76)77)32-79-78-31-46(59-34(2)68)54(74)62-43(27-36-18-8-4-9-19-36)50(70)61-42(26-35-16-6-3-7-17-35)51(71)63-45(29-38-30-58-40-23-13-12-22-39(38)40)53(73)60-41(49(69)66-48)24-14-15-25-57/h3-13,16-23,30,33,41-48,58,67H,14-15,24-29,31-32,57H2,1-2H3,(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,69)(H,76,77)/t33-,41+,42+,43+,44+,45-,46+,47+,48+/m1/s1
PDB

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n/an/a 49n/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
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50261392
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-...)
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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C56H68N10O11S2/c1-33(67)48-55(75)64-44(28-37-20-10-5-11-21-37)52(72)65-47(56(76)77)32-79-78-31-46(59-34(2)68)54(74)62-43(27-36-18-8-4-9-19-36)50(70)61-42(26-35-16-6-3-7-17-35)51(71)63-45(29-38-30-58-40-23-13-12-22-39(38)40)53(73)60-41(49(69)66-48)24-14-15-25-57/h3-13,16-23,30,33,41-48,58,67H,14-15,24-29,31-32,57H2,1-2H3,(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,69)(H,76,77)/t33-,41+,42+,43+,44+,45-,46+,47+,48+/m1/s1
KEGG

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PubMed
n/an/a 22n/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))
BDBM50261392
PNG
((4R,7S,10S,13S,16R,19S,22S,25R)-25-Acetylamino-13-...)
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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C56H68N10O11S2/c1-33(67)48-55(75)64-44(28-37-20-10-5-11-21-37)52(72)65-47(56(76)77)32-79-78-31-46(59-34(2)68)54(74)62-43(27-36-18-8-4-9-19-36)50(70)61-42(26-35-16-6-3-7-17-35)51(71)63-45(29-38-30-58-40-23-13-12-22-39(38)40)53(73)60-41(49(69)66-48)24-14-15-25-57/h3-13,16-23,30,33,41-48,58,67H,14-15,24-29,31-32,57H2,1-2H3,(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,69)(H,76,77)/t33-,41+,42+,43+,44+,45-,46+,47+,48+/m1/s1
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PubMed
n/an/a 26n/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