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PubMed code 9216844

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 2


(MOUSE)
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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n/an/a 1.04n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)
BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 1.29n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 4.17n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059089
PNG
(9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylam...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 4.92n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)
BDBM50059089
PNG
(9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylam...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)
BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
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n/an/a 10.6n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
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n/an/a 10.9n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)
BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 13.1n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)
BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
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n/an/a 13.6n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)
BDBM50059089
PNG
(9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylam...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
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n/an/a 15.6n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)
BDBM50059087
PNG
((3R,6S,9R,12S,15R,18S)-9-(4-Amino-butyl)-18-((R)-2...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CSC[C@H](NC1=O)C(O)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S/c1-26(55)38-44(61)53-37(45(62)63)25-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31-,33-,34-,35+,36-,37+,38+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)
BDBM50059087
PNG
((3R,6S,9R,12S,15R,18S)-9-(4-Amino-butyl)-18-((R)-2...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CSC[C@H](NC1=O)C(O)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S/c1-26(55)38-44(61)53-37(45(62)63)25-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31-,33-,34-,35+,36-,37+,38+/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
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PC sid
UniChem

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



University of California at San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%