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BDBM50352484 CHEMBL1824058

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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=QGPLCSNQORHDTQ-VQFDOSOCSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50352484   
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 3


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of 125I-[LTT]-SRIF-28 from human sst4 receptor in CCL39 cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/m1/s1
PDB

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



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of 125I-[LTT]-SRIF-28 from human sst2 receptor in CCL39 cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/m1/s1
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n/an/an/an/a 299n/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by luciferase reporter gene assay


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/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
Displacement of 125I-[LTT]-SRIF-28 from human sst1 receptor in CHO cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50352484
PNG
(CHEMBL1824058)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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 |r|
Show InChI InChI=1S/C56H69N11O10S2/c1-35(68)48-55(75)64-45(28-38-20-10-4-11-21-38)53(73)65-47(56(76)77)33-79-78-32-41(58)49(69)61-43(26-36-16-6-2-7-17-36)51(71)62-44(27-37-18-8-3-9-19-37)52(72)63-46(54(74)60-42(50(70)66-48)24-14-15-25-57)29-40-31-67(34-59-40)30-39-22-12-5-13-23-39/h2-13,16-23,31,34-35,41-48,68H,14-15,24-30,32-33,57-58H2,1H3,(H,60,74)(H,61,69)(H,62,71)(H,63,72)(H,64,75)(H,65,73)(H,66,70)(H,76,77)/t35-,41+,42+,43+,44+,45+,46-,47+,48+/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
Displacement of 125I-[LTT]-SRIF-28 from human sst5 receptor in HEK293 cells after 2 hrs by autoradiography


J Med Chem 54: 5981-7 (2011)


Article DOI: 10.1021/jm200307v
BindingDB Entry DOI: 10.7270/Q2BV7H1N
More data for this
Ligand-Target Pair