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BDBM50261400 (3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(4-amino-butyl)-6,18,21-tribenzyl-9-((R)-1-hydroxy-ethyl)-15-(1H-indol-3-ylmethyl)-5,8,11,14,17,20,23-heptaoxo-1,2-dithia-4,7,10,13,16,19,22-heptaaza-cyclopentacosane-3-carboxylic acid::CHEMBL503036

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

InChI Key: InChIKey=OIRQKWLKQYCEFH-UAYIBRAQSA-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 = 50261400   
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))
BDBM50261400
PNG
((3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(...)
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](CSS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C55H66N10O11S2/c1-32(66)46-53(74)63-43(28-36-20-10-5-11-21-36)51(72)65-54(55(75)76)78-77-31-45(58-33(2)67)52(73)61-42(27-35-18-8-4-9-19-35)48(69)60-41(26-34-16-6-3-7-17-34)49(70)62-44(29-37-30-57-39-23-13-12-22-38(37)39)50(71)59-40(47(68)64-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,71)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,68)(H,65,72)(H,75,76)/t32-,40+,41+,42+,43+,44-,45-,46+,54-/m1/s1
KEGG

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned 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 5


(Homo sapiens (Human))
BDBM50261400
PNG
((3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(...)
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](CSS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C55H66N10O11S2/c1-32(66)46-53(74)63-43(28-36-20-10-5-11-21-36)51(72)65-54(55(75)76)78-77-31-45(58-33(2)67)52(73)61-42(27-35-18-8-4-9-19-35)48(69)60-41(26-34-16-6-3-7-17-34)49(70)62-44(29-37-30-57-39-23-13-12-22-38(37)39)50(71)59-40(47(68)64-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,71)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,68)(H,65,72)(H,75,76)/t32-,40+,41+,42+,43+,44-,45-,46+,54-/m1/s1
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PubMed
n/an/a 51n/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))
BDBM50261400
PNG
((3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(...)
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](CSS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C55H66N10O11S2/c1-32(66)46-53(74)63-43(28-36-20-10-5-11-21-36)51(72)65-54(55(75)76)78-77-31-45(58-33(2)67)52(73)61-42(27-35-18-8-4-9-19-35)48(69)60-41(26-34-16-6-3-7-17-34)49(70)62-44(29-37-30-57-39-23-13-12-22-38(37)39)50(71)59-40(47(68)64-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,71)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,68)(H,65,72)(H,75,76)/t32-,40+,41+,42+,43+,44-,45-,46+,54-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 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 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))
BDBM50261400
PNG
((3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(...)
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](CSS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C55H66N10O11S2/c1-32(66)46-53(74)63-43(28-36-20-10-5-11-21-36)51(72)65-54(55(75)76)78-77-31-45(58-33(2)67)52(73)61-42(27-35-18-8-4-9-19-35)48(69)60-41(26-34-16-6-3-7-17-34)49(70)62-44(29-37-30-57-39-23-13-12-22-38(37)39)50(71)59-40(47(68)64-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,71)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,68)(H,65,72)(H,75,76)/t32-,40+,41+,42+,43+,44-,45-,46+,54-/m1/s1
PDB

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Article
PubMed
n/an/a 18.5n/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 1


(Homo sapiens (Human))
BDBM50261400
PNG
((3R,6S,9S,12S,15R,18S,21S,24S)-24-Acetylamino-12-(...)
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](CSS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(C)=O |r|
Show InChI InChI=1S/C55H66N10O11S2/c1-32(66)46-53(74)63-43(28-36-20-10-5-11-21-36)51(72)65-54(55(75)76)78-77-31-45(58-33(2)67)52(73)61-42(27-35-18-8-4-9-19-35)48(69)60-41(26-34-16-6-3-7-17-34)49(70)62-44(29-37-30-57-39-23-13-12-22-38(37)39)50(71)59-40(47(68)64-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,71)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,68)(H,65,72)(H,75,76)/t32-,40+,41+,42+,43+,44-,45-,46+,54-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/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