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BDBM50159438 CHEMBL387005::cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp8,(NMe)IAmp9,m-I-Tyr11,Lys12]SRIF

SMILES: CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1

InChI Key: InChIKey=BISKEDCOTSGVNU-FSWRRGMRSA-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 = 50159438   
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 3


(Homo sapiens (Human))
BDBM50159438
PNG
(CHEMBL387005 | cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1
Show InChI InChI=1S/C73H99IN16O15S2/c1-40(2)79-35-44-22-20-43(21-23-44)31-60-71(103)89-62(41(3)92)72(104)85-56(32-45-24-25-47(93)34-49(45)74)69(101)82-53-19-11-13-29-78-61(94)27-26-54(67(99)86-57(73(105)90(60)4)33-46-36-80-51-17-9-8-16-48(46)51)83-68(100)55(30-42-14-6-5-7-15-42)84-65(97)52(18-10-12-28-75)81-64(96)50(76)38-106-107-39-59(63(77)95)88-70(102)58(37-91)87-66(53)98/h5-9,14-17,20-25,34,36,40-41,50,52-60,62,79-80,91-93H,10-13,18-19,26-33,35,37-39,75-76H2,1-4H3,(H2,77,95)(H,78,94)(H,81,96)(H,82,101)(H,83,100)(H,84,97)(H,85,104)(H,86,99)(H,87,98)(H,88,102)(H,89,103)/t41-,50-,52-,53+,54-,55-,56+,57+,58+,59+,60+,62-/m1/s1
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n/an/a 254n/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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50159438
PNG
(CHEMBL387005 | cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1
Show InChI InChI=1S/C73H99IN16O15S2/c1-40(2)79-35-44-22-20-43(21-23-44)31-60-71(103)89-62(41(3)92)72(104)85-56(32-45-24-25-47(93)34-49(45)74)69(101)82-53-19-11-13-29-78-61(94)27-26-54(67(99)86-57(73(105)90(60)4)33-46-36-80-51-17-9-8-16-48(46)51)83-68(100)55(30-42-14-6-5-7-15-42)84-65(97)52(18-10-12-28-75)81-64(96)50(76)38-106-107-39-59(63(77)95)88-70(102)58(37-91)87-66(53)98/h5-9,14-17,20-25,34,36,40-41,50,52-60,62,79-80,91-93H,10-13,18-19,26-33,35,37-39,75-76H2,1-4H3,(H2,77,95)(H,78,94)(H,81,96)(H,82,101)(H,83,100)(H,84,97)(H,85,104)(H,86,99)(H,87,98)(H,88,102)(H,89,103)/t41-,50-,52-,53+,54-,55-,56+,57+,58+,59+,60+,62-/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))
BDBM50159438
PNG
(CHEMBL387005 | cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1
Show InChI InChI=1S/C73H99IN16O15S2/c1-40(2)79-35-44-22-20-43(21-23-44)31-60-71(103)89-62(41(3)92)72(104)85-56(32-45-24-25-47(93)34-49(45)74)69(101)82-53-19-11-13-29-78-61(94)27-26-54(67(99)86-57(73(105)90(60)4)33-46-36-80-51-17-9-8-16-48(46)51)83-68(100)55(30-42-14-6-5-7-15-42)84-65(97)52(18-10-12-28-75)81-64(96)50(76)38-106-107-39-59(63(77)95)88-70(102)58(37-91)87-66(53)98/h5-9,14-17,20-25,34,36,40-41,50,52-60,62,79-80,91-93H,10-13,18-19,26-33,35,37-39,75-76H2,1-4H3,(H2,77,95)(H,78,94)(H,81,96)(H,82,101)(H,83,100)(H,84,97)(H,85,104)(H,86,99)(H,87,98)(H,88,102)(H,89,103)/t41-,50-,52-,53+,54-,55-,56+,57+,58+,59+,60+,62-/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 1


(Homo sapiens (Human))
BDBM50159438
PNG
(CHEMBL387005 | cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1
Show InChI InChI=1S/C73H99IN16O15S2/c1-40(2)79-35-44-22-20-43(21-23-44)31-60-71(103)89-62(41(3)92)72(104)85-56(32-45-24-25-47(93)34-49(45)74)69(101)82-53-19-11-13-29-78-61(94)27-26-54(67(99)86-57(73(105)90(60)4)33-46-36-80-51-17-9-8-16-48(46)51)83-68(100)55(30-42-14-6-5-7-15-42)84-65(97)52(18-10-12-28-75)81-64(96)50(76)38-106-107-39-59(63(77)95)88-70(102)58(37-91)87-66(53)98/h5-9,14-17,20-25,34,36,40-41,50,52-60,62,79-80,91-93H,10-13,18-19,26-33,35,37-39,75-76H2,1-4H3,(H2,77,95)(H,78,94)(H,81,96)(H,82,101)(H,83,100)(H,84,97)(H,85,104)(H,86,99)(H,87,98)(H,88,102)(H,89,103)/t41-,50-,52-,53+,54-,55-,56+,57+,58+,59+,60+,62-/m1/s1
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n/an/a 14n/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 4


(Homo sapiens (Human))
BDBM50159438
PNG
(CHEMBL387005 | cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)C(N)=O)cc1
Show InChI InChI=1S/C73H99IN16O15S2/c1-40(2)79-35-44-22-20-43(21-23-44)31-60-71(103)89-62(41(3)92)72(104)85-56(32-45-24-25-47(93)34-49(45)74)69(101)82-53-19-11-13-29-78-61(94)27-26-54(67(99)86-57(73(105)90(60)4)33-46-36-80-51-17-9-8-16-48(46)51)83-68(100)55(30-42-14-6-5-7-15-42)84-65(97)52(18-10-12-28-75)81-64(96)50(76)38-106-107-39-59(63(77)95)88-70(102)58(37-91)87-66(53)98/h5-9,14-17,20-25,34,36,40-41,50,52-60,62,79-80,91-93H,10-13,18-19,26-33,35,37-39,75-76H2,1-4H3,(H2,77,95)(H,78,94)(H,81,96)(H,82,101)(H,83,100)(H,84,97)(H,85,104)(H,86,99)(H,87,98)(H,88,102)(H,89,103)/t41-,50-,52-,53+,54-,55-,56+,57+,58+,59+,60+,62-/m1/s1
Reactome pathway
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antibodypedia
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Article
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 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