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Compile Data Set for Download or QSAR

Found 559 hits of ic50 for UniProtKB: P30874   
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 2


(Homo sapiens (Human))
BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)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 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451372
PNG
(CHEMBL4217405)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H36F4N6O4/c1-20-15-23(35)10-11-28(20)44-14-13-43(19-30(44)45)33(47)41-31(21(2)25-17-39-26-8-6-5-7-24(25)26)32(46)40-27-16-22(18-42(3)4)9-12-29(27)48-34(36,37)38/h5-12,15-17,21,31,39H,13-14,18-19H2,1-4H3,(H,40,46)(H,41,47)/t21-,31+/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451392
PNG
(CHEMBL4214725)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39FN6O4/c1-5-45-30-15-10-23(20-39(3)4)18-29(30)37-33(43)32(22(2)27-19-36-28-9-7-6-8-26(27)28)38-34(44)40-16-17-41(31(42)21-40)25-13-11-24(35)12-14-25/h6-15,18-19,22,32,36H,5,16-17,20-21H2,1-4H3,(H,37,43)(H,38,44)/t22-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451391
PNG
(CHEMBL4212088)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H41FN6O4/c1-6-46-31-14-11-24(20-40(4)5)18-29(31)38-34(44)33(23(3)27-19-37-28-10-8-7-9-26(27)28)39-35(45)41-15-16-42(32(43)21-41)30-13-12-25(36)17-22(30)2/h7-14,17-19,23,33,37H,6,15-16,20-21H2,1-5H3,(H,38,44)(H,39,45)/t23-,33+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451394
PNG
(CHEMBL4205606)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41FN6O3/c1-5-44-31-15-10-24(22-39(3)4)20-30(31)37-33(42)32(23(2)28-21-36-29-9-7-6-8-27(28)29)38-34(43)41-18-16-40(17-19-41)26-13-11-25(35)12-14-26/h6-15,20-21,23,32,36H,5,16-19,22H2,1-4H3,(H,37,42)(H,38,43)/t23-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451373
PNG
(CHEMBL4206924)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)c1ccccc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H43N5O3/c1-5-43-32-16-15-25(23-39(3)4)21-31(32)37-34(41)33(24(2)29-22-36-30-14-10-9-13-28(29)30)38-35(42)40-19-17-27(18-20-40)26-11-7-6-8-12-26/h6-16,21-22,24,27,33,36H,5,17-20,23H2,1-4H3,(H,37,41)(H,38,42)/t24-,33+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476134
PNG
(CHEMBL437296)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C68H91N15O17S2/c1-36(85)56-65(96)78-51(29-38-11-5-4-6-12-38)67(98)83(3)54(64(95)77-49(28-40-18-22-43(87)23-19-40)60(91)76-50(30-41-31-72-46-14-8-7-13-44(41)46)62(93)74-47(59(90)81-56)15-9-10-25-69)24-26-102-35-55(88)73-32-45(71)58(89)75-48(27-39-16-20-42(70)21-17-39)61(92)80-53(34-101)63(94)82-57(37(2)86)66(97)79-52(33-84)68(99)100/h4-8,11-14,16-23,31,36-37,45,47-54,56-57,72,84-87,101H,9-10,15,24-30,32-35,69-71H2,1-3H3,(H,73,88)(H,74,93)(H,75,89)(H,76,91)(H,77,95)(H,78,96)(H,79,97)(H,80,92)(H,81,90)(H,82,94)(H,99,100)/t36-,37-,45+,47+,48+,49+,50+,51+,52+,53+,54-,56+,57+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165164
PNG
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451384
PNG
(CHEMBL4210064)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H39FN6O4/c1-21-16-25(36)11-13-31(21)42-15-14-41(20-32(42)44)35(46)39-33(22(2)28-18-37-29-9-7-6-8-27(28)29)34(45)38-30-17-24(19-40(4)5)10-12-26(30)23(3)43/h6-13,16-18,22,33,37H,14-15,19-20H2,1-5H3,(H,38,45)(H,39,46)/t22-,33+/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341565
PNG
(5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C29H30ClN3O2/c1-18-11-19(2)13-21(12-18)25-17-32-27-15-26(30)23(20-6-7-28(34)33-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-31-22/h6-7,11-17,22,31H,3-5,8-10H2,1-2H3,(H,33,34)/t22-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451385
PNG
(CHEMBL4205969)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H37FN6O4/c1-21(28-18-36-29-8-6-5-7-27(28)29)32(33(44)37-30-17-23(19-39(3)4)9-14-26(30)22(2)42)38-34(45)40-15-16-41(31(43)20-40)25-12-10-24(35)11-13-25/h5-14,17-18,21,32,36H,15-16,19-20H2,1-4H3,(H,37,44)(H,38,45)/t21-,32+/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50100750
PNG
(CHEMBL410824 | Des-AA1,2-[DTrp8]-SRIF)
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](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H96N16O17S2/c1-39(89)58-69(101)83-52(32-43-22-10-5-11-23-43)67(99)87-59(40(2)90)70(102)84-55(36-88)68(100)85-56(71(103)104)38-106-105-37-46(74)60(92)77-48(26-14-16-28-72)61(93)82-54(34-57(75)91)66(98)80-50(30-41-18-6-3-7-19-41)63(95)79-51(31-42-20-8-4-9-21-42)64(96)81-53(33-44-35-76-47-25-13-12-24-45(44)47)65(97)78-49(62(94)86-58)27-15-17-29-73/h3-13,18-25,35,39-40,46,48-56,58-59,76,88-90H,14-17,26-34,36-38,72-74H2,1-2H3,(H2,75,91)(H,77,92)(H,78,97)(H,79,95)(H,80,98)(H,81,96)(H,82,93)(H,83,101)(H,84,102)(H,85,100)(H,86,94)(H,87,99)(H,103,104)/t39-,40-,46-,48-,49+,50-,51+,52+,53-,54+,55+,56?,58-,59-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested for ability to bind to 20 microM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) recept...


J Med Chem 44: 2238-46 (2001)


BindingDB Entry DOI: 10.7270/Q21R6PSC
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476138
PNG
(CHEMBL376485)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C62H90N14O14S2/c1-35(78)49(32-77)73-59(87)50(33-91)74-55(83)44(17-9-11-24-63)68-54(82)42(65)31-67-52(81)34-92-26-23-51-60(88)71-46(27-38-19-21-40(80)22-20-38)57(85)70-47(29-39-30-66-43-16-8-7-15-41(39)43)58(86)69-45(18-10-12-25-64)56(84)75-53(36(2)79)61(89)72-48(62(90)76(51)3)28-37-13-5-4-6-14-37/h4-8,13-16,19-22,30,35-36,42,44-51,53,66,77-80,91H,9-12,17-18,23-29,31-34,63-65H2,1-3H3,(H,67,81)(H,68,82)(H,69,86)(H,70,85)(H,71,88)(H,72,89)(H,73,87)(H,74,83)(H,75,84)/t35-,36-,42+,44+,45+,46+,47+,48+,49-,50+,51-,53+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341577
PNG
(3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341571
PNG
(4-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O2/c1-19-13-20(2)15-22(14-19)27-18-33-29-17-28(31)25(21-6-8-24(34)9-7-21)16-26(29)30(27)35-12-10-23-5-3-4-11-32-23/h6-9,13-18,23,32,34H,3-5,10-12H2,1-2H3/t23-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341574
PNG
(3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(cc1)C(N)=O |r|
Show InChI InChI=1S/C31H32ClN3O2/c1-19-13-20(2)15-23(14-19)27-18-35-29-17-28(32)25(21-6-8-22(9-7-21)31(33)36)16-26(29)30(27)37-12-10-24-5-3-4-11-34-24/h6-9,13-18,24,34H,3-5,10-12H2,1-2H3,(H2,33,36)/t24-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50333670
PNG
((3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36R)-21-...)
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](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSS[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C75H102N18O19S2/c1-40(78)62(99)81-37-59(98)82-57-39-113-114-74(75(111)112)93-70(107)56(38-94)90-73(110)61(42(3)96)92-69(106)53(33-45-23-11-6-12-24-45)89-72(109)60(41(2)95)91-64(101)50(28-16-18-30-77)83-67(104)54(34-46-36-80-48-26-14-13-25-47(46)48)87-66(103)52(32-44-21-9-5-10-22-44)85-65(102)51(31-43-19-7-4-8-20-43)86-68(105)55(35-58(79)97)88-63(100)49(84-71(57)108)27-15-17-29-76/h4-14,19-26,36,40-42,49-57,60-61,74,80,94-96H,15-18,27-35,37-39,76-78H2,1-3H3,(H2,79,97)(H,81,99)(H,82,98)(H,83,104)(H,84,108)(H,85,102)(H,86,105)(H,87,103)(H,88,100)(H,89,109)(H,90,110)(H,91,101)(H,92,106)(H,93,107)(H,111,112)/t40-,41+,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,74+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells


Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50212467
PNG
(Sandostatinm)
Show SMILES [H][C@@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)SSC[C@@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](C)O
Show InChI InChI=1S/C48H64N10O10S2/c1-27(60)38(25-59)55-45(66)39-26-69-70-48(58-41(62)33(50)21-29-13-5-3-6-14-29)47(68)54-36(22-30-15-7-4-8-16-30)43(64)53-37(23-31-24-51-34-18-10-9-17-32(31)34)44(65)52-35(19-11-12-20-49)42(63)57-40(28(2)61)46(67)56-39/h3-10,13-18,24,27-28,33,35-40,48,51,59-61H,11-12,19-23,25-26,49-50H2,1-2H3,(H,52,65)(H,53,64)(H,54,68)(H,55,66)(H,56,67)(H,57,63)(H,58,62)/t27-,28-,33+,35+,36+,37-,38-,39-,40-,48+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for free energy of binding against somatostatin receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X350M0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165167
PNG
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)
Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476142
PNG
(CHEMBL376484)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C65H88N14O14S2/c1-36(81)52(33-80)76-62(90)53(34-94)77-60(88)48(27-39-16-20-42(67)21-17-39)72-57(85)45(68)32-70-55(84)35-95-26-24-54-63(91)74-49(28-40-18-22-43(83)23-19-40)59(87)73-50(30-41-31-69-46-14-8-7-13-44(41)46)61(89)71-47(15-9-10-25-66)58(86)78-56(37(2)82)64(92)75-51(65(93)79(54)3)29-38-11-5-4-6-12-38/h4-8,11-14,16-23,31,36-37,45,47-54,56,69,80-83,94H,9-10,15,24-30,32-35,66-68H2,1-3H3,(H,70,84)(H,71,89)(H,72,85)(H,73,87)(H,74,91)(H,75,92)(H,76,90)(H,77,88)(H,78,86)/t36-,37-,45+,47+,48+,49+,50+,51+,52-,53+,54-,56+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451382
PNG
(CHEMBL4205696)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451399
PNG
(CHEMBL4208528)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41N5O4S/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451395
PNG
(CHEMBL4211422)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H45N5O4/c1-5-43-30-14-13-23(21-38(3)4)19-29(30)36-33(41)31(22(2)27-20-35-28-12-7-6-11-26(27)28)37-34(42)39-17-15-25(16-18-39)32(40)24-9-8-10-24/h6-7,11-14,19-20,22,24-25,31,35H,5,8-10,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50175599
PNG
((4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Ly...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33+,35+,36+,37-,38+,39-,41-,42+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476141
PNG
(CHEMBL426548)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C65H86N14O15S2/c1-35(80)54-63(91)75-50(29-37-11-5-4-6-12-37)64(92)79(3)52(24-26-96-34-53(83)70-32-44(68)56(84)72-47(27-38-16-20-41(67)21-17-38)59(87)76-51(33-95)61(89)78-55(36(2)81)65(93)94)62(90)74-48(28-39-18-22-42(82)23-19-39)58(86)73-49(30-40-31-69-45-14-8-7-13-43(40)45)60(88)71-46(57(85)77-54)15-9-10-25-66/h4-8,11-14,16-23,31,35-36,44,46-52,54-55,69,80-82,95H,9-10,15,24-30,32-34,66-68H2,1-3H3,(H,70,83)(H,71,88)(H,72,84)(H,73,86)(H,74,90)(H,75,91)(H,76,87)(H,77,85)(H,78,89)(H,93,94)/t35-,36-,44+,46+,47+,48+,49+,50+,51+,52-,54+,55+/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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n/an/a 0.670n/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 2


(Homo sapiens (Human))
BDBM50451390
PNG
(CHEMBL4210627)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39N5O4S/c1-21(27-19-35-28-9-6-5-8-26(27)28)31(33(42)36-29-18-23(20-38(3)4)11-12-25(29)22(2)40)37-34(43)39-15-13-24(14-16-39)32(41)30-10-7-17-44-30/h5-12,17-19,21,24,31,35H,13-16,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451388
PNG
(CHEMBL4215053)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H43N5O4/c1-21(28-19-35-29-11-6-5-10-27(28)29)31(33(42)36-30-18-23(20-38(3)4)12-13-26(30)22(2)40)37-34(43)39-16-14-25(15-17-39)32(41)24-8-7-9-24/h5-6,10-13,18-19,21,24-25,31,35H,7-9,14-17,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis


Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243579
PNG
(2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C74H98ClN19O21S2/c1-41(95)63-72(113)87-57(70(111)83-51(64(77)105)30-45-11-19-49(96)20-12-45)40-117-116-39-56(86-67(108)52(31-42-5-13-46(75)14-6-42)81-59(98)35-91-22-24-92(36-60(99)100)26-28-94(38-62(103)104)29-27-93(25-23-91)37-61(101)102)71(112)85-54(33-43-7-15-47(16-8-43)79-66(107)55-34-58(97)89-74(115)88-55)69(110)84-53(32-44-9-17-48(18-10-44)80-73(78)114)68(109)82-50(65(106)90-63)4-2-3-21-76/h5-20,41,50-57,63,95-96H,2-4,21-40,76H2,1H3,(H2,77,105)(H,79,107)(H,81,98)(H,82,109)(H,83,111)(H,84,110)(H,85,112)(H,86,108)(H,87,113)(H,90,106)(H,99,100)(H,101,102)(H,103,104)(H3,78,80,114)(H2,88,89,97,115)/t41-,50+,51-,52-,53-,54+,55+,56-,57+,63+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50254248
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-({[4-(2...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C38H44N8O4/c39-19-9-8-16-34(35(47)40-23-25-10-2-1-3-11-25)45-24-32-28(27-12-4-5-13-29(27)41-32)22-31(36(45)48)43-37(49)44-20-17-26(18-21-44)46-33-15-7-6-14-30(33)42-38(46)50/h1-7,10-15,26,31,34,41H,8-9,16-24,39H2,(H,40,47)(H,42,50)(H,43,49)/t31-,34+/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst2 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243511
PNG
(2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C69H93N17O21S2/c1-40(87)60-68(104)80-55(66(102)76-50(61(71)97)30-43-9-17-47(88)18-10-43)39-109-108-38-54(67(103)78-53(33-44-11-19-48(89)20-12-44)65(101)77-52(32-41-5-13-45(14-6-41)73-69(72)105)64(100)75-49(62(98)81-60)4-2-3-21-70)79-63(99)51(31-42-7-15-46(16-8-42)86(106)107)74-56(90)34-82-22-24-83(35-57(91)92)26-28-85(37-59(95)96)29-27-84(25-23-82)36-58(93)94/h5-20,40,49-55,60,87-89H,2-4,21-39,70H2,1H3,(H2,71,97)(H,74,90)(H,75,100)(H,76,102)(H,77,101)(H,78,103)(H,79,99)(H,80,104)(H,81,98)(H,91,92)(H,93,94)(H,95,96)(H3,72,73,105)/t40-,49+,50-,51-,52-,53+,54-,55+,60+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50496021
PNG
(CHEMBL3122129)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis


Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165159
PNG
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451396
PNG
(CHEMBL4216387)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)CC(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H47N5O4/c1-7-43-31-13-12-24(21-38(5)6)19-29(31)36-33(41)32(23(4)27-20-35-28-11-9-8-10-26(27)28)37-34(42)39-16-14-25(15-17-39)30(40)18-22(2)3/h8-13,19-20,22-23,25,32,35H,7,14-18,21H2,1-6H3,(H,36,41)(H,37,42)/t23-,32+/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165180
PNG
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)
Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451386
PNG
(CHEMBL4203793)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H44N6O4/c1-21(26-19-34-27-11-9-8-10-25(26)27)29(36-32(43)39-16-14-38(15-17-39)31(42)33(3,4)5)30(41)35-28-18-23(20-37(6)7)12-13-24(28)22(2)40/h8-13,18-19,21,29,34H,14-17,20H2,1-7H3,(H,35,41)(H,36,43)/t21-,29+/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50496015
PNG
(CHEMBL3122128)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis


Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES [H][C@]1(NC(=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)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using Y-labelled SMT487 radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50451397
PNG
(CHEMBL4208009)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H45N5O4/c1-7-42-29-13-12-23(20-37(5)6)18-28(29)35-32(40)30(22(4)26-19-34-27-11-9-8-10-25(26)27)36-33(41)38-16-14-24(15-17-38)31(39)21(2)3/h8-13,18-19,21-22,24,30,34H,7,14-17,20H2,1-6H3,(H,35,40)(H,36,41)/t22-,30+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...


Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50175590
PNG
((4-amino)-D-Phe-c[Cys-Tyr-D-Trp-Lys-Val-Cys]-D-Asp...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@H](CC(O)=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)cc1
Show InChI InChI=1S/C50H66N12O11S2/c1-26(2)42-50(73)61-40(48(71)57-36(43(54)66)22-41(64)65)25-75-74-24-39(60-44(67)33(53)19-27-10-14-30(52)15-11-27)49(72)58-37(20-28-12-16-31(63)17-13-28)46(69)59-38(21-29-23-55-34-8-4-3-7-32(29)34)47(70)56-35(45(68)62-42)9-5-6-18-51/h3-4,7-8,10-17,23,26,33,35-40,42,55,63H,5-6,9,18-22,24-25,51-53H2,1-2H3,(H2,54,66)(H,56,70)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,73)(H,62,68)(H,64,65)/t33-,35-,36+,37-,38+,39-,40+,42+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165174
PNG
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)
Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES [H][C@]1(NC(=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)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82547
PNG
(SRIF-D-Trp8)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1
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n/an/a 1.10n/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 2


(Homo sapiens (Human))
BDBM50341572
PNG
(3-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C30H31ClN2O2/c1-19-12-20(2)14-22(13-19)27-18-33-29-17-28(31)25(21-6-5-8-24(34)15-21)16-26(29)30(27)35-11-9-23-7-3-4-10-32-23/h5-6,8,12-18,23,32,34H,3-4,7,9-11H2,1-2H3/t23-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50165160
PNG
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)
Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)


J Med Chem 48: 2778-89 (2005)


Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243580
PNG
(2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C70H91IN16O20S2/c1-40(88)62-70(105)81-56(68(103)77-51(63(73)98)29-42-11-16-46(89)17-12-42)39-109-108-38-55(69(104)78-53(31-43-13-18-57(90)48(71)28-43)66(101)79-54(32-44-33-74-49-7-3-2-6-47(44)49)67(102)76-50(64(99)82-62)8-4-5-19-72)80-65(100)52(30-41-9-14-45(15-10-41)87(106)107)75-58(91)34-83-20-22-84(35-59(92)93)24-26-86(37-61(96)97)27-25-85(23-21-83)36-60(94)95/h2-3,6-7,9-18,28,33,40,50-56,62,74,88-90H,4-5,8,19-27,29-32,34-39,72H2,1H3,(H2,73,98)(H,75,91)(H,76,102)(H,77,103)(H,78,104)(H,79,101)(H,80,100)(H,81,105)(H,82,99)(H,92,93)(H,94,95)(H,96,97)/t40-,50+,51-,52-,53+,54-,55-,56+,62+/m1/s1
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University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50111542
PNG
(2-[13-(4-Amino-butyl)-7,22-dibenzyl-10-(1-hydroxy-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C57H69N11O9S2/c1-35(69)51-56(76)66-48(29-37-16-6-3-7-17-37)57(77)68(34-49(59)70)25-27-79-78-26-23-50(71)62-45(28-36-14-4-2-5-15-36)53(73)64-47(31-39-33-61-43-21-11-9-19-41(39)43)55(75)65-46(30-38-32-60-42-20-10-8-18-40(38)42)54(74)63-44(52(72)67-51)22-12-13-24-58/h2-11,14-21,32-33,35,44-48,51,60-61,69H,12-13,22-31,34,58H2,1H3,(H2,59,70)(H,62,71)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,72)/t35-,44-,45+,46-,47-,48-,51+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Binding affinity of human Somatostatin receptor type 2 (hsst2) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells


J Med Chem 45: 1665-71 (2002)


BindingDB Entry DOI: 10.7270/Q2028QV7
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243513
PNG
(2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C73H95N17O20S2/c1-43(91)64-72(107)84-59(70(105)80-54(65(75)100)36-47-9-16-48-6-2-3-7-49(48)32-47)42-112-111-41-58(71(106)82-57(35-46-14-21-52(92)22-15-46)69(104)81-56(34-44-10-17-50(18-11-44)77-73(76)108)68(103)79-53(66(101)85-64)8-4-5-23-74)83-67(102)55(33-45-12-19-51(20-13-45)90(109)110)78-60(93)37-86-24-26-87(38-61(94)95)28-30-89(40-63(98)99)31-29-88(27-25-86)39-62(96)97/h2-3,6-7,9-22,32,43,53-59,64,91-92H,4-5,8,23-31,33-42,74H2,1H3,(H2,75,100)(H,78,93)(H,79,103)(H,80,105)(H,81,104)(H,82,106)(H,83,102)(H,84,107)(H,85,101)(H,94,95)(H,96,97)(H,98,99)(H3,76,77,108)/t43-,53+,54+,55-,56-,57+,58-,59+,64+/m1/s1
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243576
PNG
(2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19S)-10-(4-ami...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C73H95ClN16O18S2/c1-43(91)64-72(107)85-59(70(105)81-54(65(76)100)36-47-9-16-48-6-2-3-7-49(48)32-47)42-110-109-41-58(71(106)83-57(35-46-14-21-52(92)22-15-46)69(104)82-56(34-45-12-19-51(20-13-45)78-73(77)108)68(103)80-53(66(101)86-64)8-4-5-23-75)84-67(102)55(33-44-10-17-50(74)18-11-44)79-60(93)37-87-24-26-88(38-61(94)95)28-30-90(40-63(98)99)31-29-89(27-25-87)39-62(96)97/h2-3,6-7,9-22,32,43,53-59,64,91-92H,4-5,8,23-31,33-42,75H2,1H3,(H2,76,100)(H,79,93)(H,80,103)(H,81,105)(H,82,104)(H,83,106)(H,84,102)(H,85,107)(H,86,101)(H,94,95)(H,96,97)(H,98,99)(H3,77,78,108)/t43-,53+,54+,55-,56-,57+,58-,59+,64+/m1/s1
PDB

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Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
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