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BDBM50159467 CHEMBL265839::cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Lys11]SRIF

SMILES: CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1

InChI Key: InChIKey=ARCVJEAAJCWJGB-MOPAUFAESA-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 = 50159467   
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))
BDBM50159467
PNG
(CHEMBL265839 | cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1
Show InChI InChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


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


J Med Chem 48: 515-22 (2005)


Article DOI: 10.1021/jm049519m
BindingDB Entry DOI: 10.7270/Q2QV3N9S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50159467
PNG
(CHEMBL265839 | cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1
Show InChI InChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


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


J Med Chem 48: 515-22 (2005)


Article DOI: 10.1021/jm049519m
BindingDB Entry DOI: 10.7270/Q2QV3N9S
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50159467
PNG
(CHEMBL265839 | cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1
Show InChI InChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


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


J Med Chem 48: 515-22 (2005)


Article DOI: 10.1021/jm049519m
BindingDB Entry DOI: 10.7270/Q2QV3N9S
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50159467
PNG
(CHEMBL265839 | cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1
Show InChI InChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


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


J Med Chem 48: 515-22 (2005)


Article DOI: 10.1021/jm049519m
BindingDB Entry DOI: 10.7270/Q2QV3N9S
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50159467
PNG
(CHEMBL265839 | cyclo(7-11) Des-AA1,5-[Tyr2,Glu7,D-...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(O)=O)cc1
Show InChI InChI=1S/C76H104N16O18S2/c1-41(2)80-36-47-22-20-46(21-23-47)34-57-71(104)92-63(42(3)94)74(107)84-54-19-11-13-31-79-62(97)29-28-55(67(100)87-58(70(103)86-57)35-48-37-81-52-17-9-8-16-50(48)52)83-69(102)56(33-44-14-6-5-7-15-44)85-66(99)53(18-10-12-30-77)82-73(106)60(89-65(98)51(78)32-45-24-26-49(96)27-25-45)39-111-112-40-61(76(109)110)90-72(105)59(38-93)88-75(108)64(43(4)95)91-68(54)101/h5-9,14-17,20-27,37,41-43,51,53-61,63-64,80-81,93-96H,10-13,18-19,28-36,38-40,77-78H2,1-4H3,(H,79,97)(H,82,106)(H,83,102)(H,84,107)(H,85,99)(H,86,103)(H,87,100)(H,88,108)(H,89,98)(H,90,105)(H,91,101)(H,92,104)(H,109,110)/t42-,43-,51+,53-,54-,55-,56-,57+,58+,59+,60-,61+,63-,64-/m1/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


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


J Med Chem 48: 515-22 (2005)


Article DOI: 10.1021/jm049519m
BindingDB Entry DOI: 10.7270/Q2QV3N9S
More data for this
Ligand-Target Pair