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BDBM50261408 (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-cycloheptacosane-4-carboxylic acid::CHEMBL504087

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

InChI Key: InChIKey=HZNDTCHPXXGRFB-XQYXZNFASA-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 = 50261408   
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 1


(Homo sapiens (Human))
BDBM50261408
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](CCSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C57H70N10O11S2/c1-34(68)49-56(76)65-46(30-38-20-10-5-11-21-38)54(74)66-48(57(77)78)33-80-79-27-25-43(60-35(2)69)50(70)62-44(28-36-16-6-3-7-17-36)52(72)63-45(29-37-18-8-4-9-19-37)53(73)64-47(31-39-32-59-41-23-13-12-22-40(39)41)55(75)61-42(51(71)67-49)24-14-15-26-58/h3-13,16-23,32,34,42-49,59,68H,14-15,24-31,33,58H2,1-2H3,(H,60,69)(H,61,75)(H,62,70)(H,63,72)(H,64,73)(H,65,76)(H,66,74)(H,67,71)(H,77,78)/t34-,42+,43-,44+,45+,46+,47-,48+,49+/m1/s1
KEGG

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n/an/a 96n/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 4


(Homo sapiens (Human))
BDBM50261408
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](CCSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C57H70N10O11S2/c1-34(68)49-56(76)65-46(30-38-20-10-5-11-21-38)54(74)66-48(57(77)78)33-80-79-27-25-43(60-35(2)69)50(70)62-44(28-36-16-6-3-7-17-36)52(72)63-45(29-37-18-8-4-9-19-37)53(73)64-47(31-39-32-59-41-23-13-12-22-40(39)41)55(75)61-42(51(71)67-49)24-14-15-26-58/h3-13,16-23,32,34,42-49,59,68H,14-15,24-31,33,58H2,1-2H3,(H,60,69)(H,61,75)(H,62,70)(H,63,72)(H,64,73)(H,65,76)(H,66,74)(H,67,71)(H,77,78)/t34-,42+,43-,44+,45+,46+,47-,48+,49+/m1/s1
KEGG

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Article
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n/an/a 0.900n/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 3


(Homo sapiens (Human))
BDBM50261408
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](CCSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C57H70N10O11S2/c1-34(68)49-56(76)65-46(30-38-20-10-5-11-21-38)54(74)66-48(57(77)78)33-80-79-27-25-43(60-35(2)69)50(70)62-44(28-36-16-6-3-7-17-36)52(72)63-45(29-37-18-8-4-9-19-37)53(73)64-47(31-39-32-59-41-23-13-12-22-40(39)41)55(75)61-42(51(71)67-49)24-14-15-26-58/h3-13,16-23,32,34,42-49,59,68H,14-15,24-31,33,58H2,1-2H3,(H,60,69)(H,61,75)(H,62,70)(H,63,72)(H,64,73)(H,65,76)(H,66,74)(H,67,71)(H,77,78)/t34-,42+,43-,44+,45+,46+,47-,48+,49+/m1/s1
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n/an/a 38n/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))
BDBM50261408
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](CCSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C57H70N10O11S2/c1-34(68)49-56(76)65-46(30-38-20-10-5-11-21-38)54(74)66-48(57(77)78)33-80-79-27-25-43(60-35(2)69)50(70)62-44(28-36-16-6-3-7-17-36)52(72)63-45(29-37-18-8-4-9-19-37)53(73)64-47(31-39-32-59-41-23-13-12-22-40(39)41)55(75)61-42(51(71)67-49)24-14-15-26-58/h3-13,16-23,32,34,42-49,59,68H,14-15,24-31,33,58H2,1-2H3,(H,60,69)(H,61,75)(H,62,70)(H,63,72)(H,64,73)(H,65,76)(H,66,74)(H,67,71)(H,77,78)/t34-,42+,43-,44+,45+,46+,47-,48+,49+/m1/s1
PDB

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Article
PubMed
n/an/a 6.5n/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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50261408
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](CCSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C57H70N10O11S2/c1-34(68)49-56(76)65-46(30-38-20-10-5-11-21-38)54(74)66-48(57(77)78)33-80-79-27-25-43(60-35(2)69)50(70)62-44(28-36-16-6-3-7-17-36)52(72)63-45(29-37-18-8-4-9-19-37)53(73)64-47(31-39-32-59-41-23-13-12-22-40(39)41)55(75)61-42(51(71)67-49)24-14-15-26-58/h3-13,16-23,32,34,42-49,59,68H,14-15,24-31,33,58H2,1-2H3,(H,60,69)(H,61,75)(H,62,70)(H,63,72)(H,64,73)(H,65,76)(H,66,74)(H,67,71)(H,77,78)/t34-,42+,43-,44+,45+,46+,47-,48+,49+/m1/s1
Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a 28n/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