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BDBM50159410 CHEMBL404819::Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe)Cys14]SRIF-Lys

SMILES: CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1

InChI Key: InChIKey=WBIRRITZFLIHJB-BTIUTOFESA-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 = 50159410   
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))
BDBM50159410
PNG
(CHEMBL404819 | Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1
Show InChI InChI=1S/C81H110N16O16S2/c1-47(2)85-42-54-33-31-53(32-34-54)40-63-75(106)95-68(48(3)99)78(109)93-64(39-52-25-13-8-14-26-52)76(107)96-69(49(4)100)79(110)94-66(44-98)80(111)97(5)67(77(108)88-60(81(112)113)30-18-20-36-83)46-115-114-45-57(84)70(101)87-59(29-17-19-35-82)71(102)89-61(37-50-21-9-6-10-22-50)72(103)90-62(38-51-23-11-7-12-24-51)73(104)92-65(74(105)91-63)41-55-43-86-58-28-16-15-27-56(55)58/h6-16,21-28,31-34,43,47-49,57,59-69,85-86,98-100H,17-20,29-30,35-42,44-46,82-84H2,1-5H3,(H,87,101)(H,88,108)(H,89,102)(H,90,103)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,112,113)/t48-,49-,57-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
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
Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 4


J Med Chem 48: 507-14 (2005)


Article DOI: 10.1021/jm049520l
BindingDB Entry DOI: 10.7270/Q2QR4WNH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50159410
PNG
(CHEMBL404819 | Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1
Show InChI InChI=1S/C81H110N16O16S2/c1-47(2)85-42-54-33-31-53(32-34-54)40-63-75(106)95-68(48(3)99)78(109)93-64(39-52-25-13-8-14-26-52)76(107)96-69(49(4)100)79(110)94-66(44-98)80(111)97(5)67(77(108)88-60(81(112)113)30-18-20-36-83)46-115-114-45-57(84)70(101)87-59(29-17-19-35-82)71(102)89-61(37-50-21-9-6-10-22-50)72(103)90-62(38-51-23-11-7-12-24-51)73(104)92-65(74(105)91-63)41-55-43-86-58-28-16-15-27-56(55)58/h6-16,21-28,31-34,43,47-49,57,59-69,85-86,98-100H,17-20,29-30,35-42,44-46,82-84H2,1-5H3,(H,87,101)(H,88,108)(H,89,102)(H,90,103)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,112,113)/t48-,49-,57-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
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
Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 5


J Med Chem 48: 507-14 (2005)


Article DOI: 10.1021/jm049520l
BindingDB Entry DOI: 10.7270/Q2QR4WNH
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50159410
PNG
(CHEMBL404819 | Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1
Show InChI InChI=1S/C81H110N16O16S2/c1-47(2)85-42-54-33-31-53(32-34-54)40-63-75(106)95-68(48(3)99)78(109)93-64(39-52-25-13-8-14-26-52)76(107)96-69(49(4)100)79(110)94-66(44-98)80(111)97(5)67(77(108)88-60(81(112)113)30-18-20-36-83)46-115-114-45-57(84)70(101)87-59(29-17-19-35-82)71(102)89-61(37-50-21-9-6-10-22-50)72(103)90-62(38-51-23-11-7-12-24-51)73(104)92-65(74(105)91-63)41-55-43-86-58-28-16-15-27-56(55)58/h6-16,21-28,31-34,43,47-49,57,59-69,85-86,98-100H,17-20,29-30,35-42,44-46,82-84H2,1-5H3,(H,87,101)(H,88,108)(H,89,102)(H,90,103)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,112,113)/t48-,49-,57-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
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
Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 2


J Med Chem 48: 507-14 (2005)


Article DOI: 10.1021/jm049520l
BindingDB Entry DOI: 10.7270/Q2QR4WNH
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50159410
PNG
(CHEMBL404819 | Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1
Show InChI InChI=1S/C81H110N16O16S2/c1-47(2)85-42-54-33-31-53(32-34-54)40-63-75(106)95-68(48(3)99)78(109)93-64(39-52-25-13-8-14-26-52)76(107)96-69(49(4)100)79(110)94-66(44-98)80(111)97(5)67(77(108)88-60(81(112)113)30-18-20-36-83)46-115-114-45-57(84)70(101)87-59(29-17-19-35-82)71(102)89-61(37-50-21-9-6-10-22-50)72(103)90-62(38-51-23-11-7-12-24-51)73(104)92-65(74(105)91-63)41-55-43-86-58-28-16-15-27-56(55)58/h6-16,21-28,31-34,43,47-49,57,59-69,85-86,98-100H,17-20,29-30,35-42,44-46,82-84H2,1-5H3,(H,87,101)(H,88,108)(H,89,102)(H,90,103)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,112,113)/t48-,49-,57-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
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
Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 3


J Med Chem 48: 507-14 (2005)


Article DOI: 10.1021/jm049520l
BindingDB Entry DOI: 10.7270/Q2QR4WNH
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50159410
PNG
(CHEMBL404819 | Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](N(C)C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC2=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O)cc1
Show InChI InChI=1S/C81H110N16O16S2/c1-47(2)85-42-54-33-31-53(32-34-54)40-63-75(106)95-68(48(3)99)78(109)93-64(39-52-25-13-8-14-26-52)76(107)96-69(49(4)100)79(110)94-66(44-98)80(111)97(5)67(77(108)88-60(81(112)113)30-18-20-36-83)46-115-114-45-57(84)70(101)87-59(29-17-19-35-82)71(102)89-61(37-50-21-9-6-10-22-50)72(103)90-62(38-51-23-11-7-12-24-51)73(104)92-65(74(105)91-63)41-55-43-86-58-28-16-15-27-56(55)58/h6-16,21-28,31-34,43,47-49,57,59-69,85-86,98-100H,17-20,29-30,35-42,44-46,82-84H2,1-5H3,(H,87,101)(H,88,108)(H,89,102)(H,90,103)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,112,113)/t48-,49-,57-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 1


J Med Chem 48: 507-14 (2005)


Article DOI: 10.1021/jm049520l
BindingDB Entry DOI: 10.7270/Q2QR4WNH
More data for this
Ligand-Target Pair