BindingDB logo
myBDB logout

BDBM50136764 (11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4-carboxy-10-((S)-1-hydroxy-ethyl)-20-(1H-indol-3-ylmethyl)-13-methyl-6,12,15,28-tetraoxo-9,19,25-tri(R)-oxo-22-(S)-oxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonaaza-cyclotriacontan-17-ol anion::CID44368108::sst4-selective analogue 17

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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=BNFXQXZSZFDCOU-SMWASMGWSA-N

Data: 10 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 10 hits for monomerid = 50136764   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50136764
PNG
((11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)N[C@H]([O-])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
Show InChI InChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand


J Med Chem 46: 5579-86 (2003)


Article DOI: 10.1021/jm030243c
BindingDB Entry DOI: 10.7270/Q2KP82W9
More data for this
Ligand-Target Pair