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BDBM50261406 (3R,6S,9S,12S,15R,18S,21S,24R)-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-cyclotetracosane-3-carboxylic acid::CHEMBL447989

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

InChI Key: InChIKey=SYPLAWQFECYGQV-XVEYJZIBSA-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 = 50261406   
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))
BDBM50261406
PNG
((3R,6S,9S,12S,15R,18S,21S,24R)-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](NC(C)=O)SS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H64N10O11S2/c1-31(65)44-50(72)61-42(28-35-20-10-5-11-21-35)49(71)64-53(54(74)75)77-76-52(57-32(2)66)51(73)62-41(27-34-18-8-4-9-19-34)47(69)59-40(26-33-16-6-3-7-17-33)46(68)60-43(29-36-30-56-38-23-13-12-22-37(36)38)48(70)58-39(45(67)63-44)24-14-15-25-55/h3-13,16-23,30-31,39-44,52-53,56,65H,14-15,24-29,55H2,1-2H3,(H,57,66)(H,58,70)(H,59,69)(H,60,68)(H,61,72)(H,62,73)(H,63,67)(H,64,71)(H,74,75)/t31-,39+,40+,41+,42+,43-,44+,52-,53-/m1/s1
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 302n/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))
BDBM50261406
PNG
((3R,6S,9S,12S,15R,18S,21S,24R)-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](NC(C)=O)SS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H64N10O11S2/c1-31(65)44-50(72)61-42(28-35-20-10-5-11-21-35)49(71)64-53(54(74)75)77-76-52(57-32(2)66)51(73)62-41(27-34-18-8-4-9-19-34)47(69)59-40(26-33-16-6-3-7-17-33)46(68)60-43(29-36-30-56-38-23-13-12-22-37(36)38)48(70)58-39(45(67)63-44)24-14-15-25-55/h3-13,16-23,30-31,39-44,52-53,56,65H,14-15,24-29,55H2,1-2H3,(H,57,66)(H,58,70)(H,59,69)(H,60,68)(H,61,72)(H,62,73)(H,63,67)(H,64,71)(H,74,75)/t31-,39+,40+,41+,42+,43-,44+,52-,53-/m1/s1
KEGG

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n/an/a 1.60n/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))
BDBM50261406
PNG
((3R,6S,9S,12S,15R,18S,21S,24R)-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](NC(C)=O)SS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H64N10O11S2/c1-31(65)44-50(72)61-42(28-35-20-10-5-11-21-35)49(71)64-53(54(74)75)77-76-52(57-32(2)66)51(73)62-41(27-34-18-8-4-9-19-34)47(69)59-40(26-33-16-6-3-7-17-33)46(68)60-43(29-36-30-56-38-23-13-12-22-37(36)38)48(70)58-39(45(67)63-44)24-14-15-25-55/h3-13,16-23,30-31,39-44,52-53,56,65H,14-15,24-29,55H2,1-2H3,(H,57,66)(H,58,70)(H,59,69)(H,60,68)(H,61,72)(H,62,73)(H,63,67)(H,64,71)(H,74,75)/t31-,39+,40+,41+,42+,43-,44+,52-,53-/m1/s1
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n/an/a 19n/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))
BDBM50261406
PNG
((3R,6S,9S,12S,15R,18S,21S,24R)-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](NC(C)=O)SS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H64N10O11S2/c1-31(65)44-50(72)61-42(28-35-20-10-5-11-21-35)49(71)64-53(54(74)75)77-76-52(57-32(2)66)51(73)62-41(27-34-18-8-4-9-19-34)47(69)59-40(26-33-16-6-3-7-17-33)46(68)60-43(29-36-30-56-38-23-13-12-22-37(36)38)48(70)58-39(45(67)63-44)24-14-15-25-55/h3-13,16-23,30-31,39-44,52-53,56,65H,14-15,24-29,55H2,1-2H3,(H,57,66)(H,58,70)(H,59,69)(H,60,68)(H,61,72)(H,62,73)(H,63,67)(H,64,71)(H,74,75)/t31-,39+,40+,41+,42+,43-,44+,52-,53-/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 34n/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))
BDBM50261406
PNG
((3R,6S,9S,12S,15R,18S,21S,24R)-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](NC(C)=O)SS[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C54H64N10O11S2/c1-31(65)44-50(72)61-42(28-35-20-10-5-11-21-35)49(71)64-53(54(74)75)77-76-52(57-32(2)66)51(73)62-41(27-34-18-8-4-9-19-34)47(69)59-40(26-33-16-6-3-7-17-33)46(68)60-43(29-36-30-56-38-23-13-12-22-37(36)38)48(70)58-39(45(67)63-44)24-14-15-25-55/h3-13,16-23,30-31,39-44,52-53,56,65H,14-15,24-29,55H2,1-2H3,(H,57,66)(H,58,70)(H,59,69)(H,60,68)(H,61,72)(H,62,73)(H,63,67)(H,64,71)(H,74,75)/t31-,39+,40+,41+,42+,43-,44+,52-,53-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 57n/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