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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with Target = 'SSTR2' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
SSTR2


(RAT)
BDBM82255
PNG
(D-Phe-Cys-Tyr-D-Trp-Lys-Abu-Cys-Nal-NH | NC8-12)
Show SMILES NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC(=O)C(CCCN)NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H69N11O8S2/c58-26-9-8-20-45-53(72)63-46(21-11-27-59)54(73)68-49(52(71)62-31-38-16-10-15-37-14-4-5-17-41(37)38)33-77-78-34-50(67-51(70)43(60)28-35-12-2-1-3-13-35)57(76)65-47(29-36-22-24-40(69)25-23-36)55(74)66-48(56(75)64-45)30-39-32-61-44-19-7-6-18-42(39)44/h1-7,10,12-19,22-25,32,43,45-50,61,69H,8-9,11,20-21,26-31,33-34,58-60H2,(H,62,71)(H,63,72)(H,64,75)(H,65,76)(H,66,74)(H,67,70)(H,68,73)
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0.0100n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
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
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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0.0410n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by PDSP Ki Database




Neuropharmacology 39: 1443-50 (2000)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
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
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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0.0680n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by PDSP Ki Database




Neuropharmacology 39: 1443-50 (2000)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85011
PNG
(AcNH-4-NO2-Phe-c[Cys-Tyr-D-Trp-Lys-Thr-Cys]-Tyr-NH...)
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]([C@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O
Show InChI InChI=1S/C52H68N12O13S2/c1-27(2)43-52(75)61-42(51(74)63-44(28(3)65)45(54)68)26-79-78-25-41(60-47(70)38(56-29(4)66)21-30-12-16-33(17-13-30)64(76)77)50(73)58-39(22-31-14-18-34(67)19-15-31)48(71)59-40(23-32-24-55-36-10-6-5-9-35(32)36)49(72)57-37(46(69)62-43)11-7-8-20-53/h5-6,9-10,12-19,24,27-28,37-44,55,65,67H,7-8,11,20-23,25-26,53H2,1-4H3,(H2,54,68)(H,56,66)(H,57,72)(H,58,73)(H,59,71)(H,60,70)(H,61,75)(H,62,69)(H,63,74)/t28-,37-,38+,39-,40+,41-,42+,43+,44+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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0.200n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85009
PNG
(H2N-4-NO2-Phe-c[Cys-Tyr-D-Trp-Lys-Val-Cys]-Tyr-Nh2)
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]([C@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C50H66N12O12S2/c1-26(2)41-50(72)59-40(49(71)61-42(27(3)63)43(53)65)25-76-75-24-39(58-44(66)34(52)20-28-11-15-31(16-12-28)62(73)74)48(70)56-37(21-29-13-17-32(64)18-14-29)46(68)57-38(22-30-23-54-35-9-5-4-8-33(30)35)47(69)55-36(45(67)60-41)10-6-7-19-51/h4-5,8-9,11-18,23,26-27,34,36-42,54,63-64H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t27-,34-,36-,37-,38+,39-,40+,41+,42+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
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
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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0.280n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85012
PNG
(AcNH-4-NO2-Phe-c[D-Cys-Tyr-D-Trp-Lys-Thr-Cys]-Tyr-...)
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]([C@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O
Show InChI InChI=1S/C52H68N12O13S2/c1-27(2)43-52(75)61-42(51(74)63-44(28(3)65)45(54)68)26-79-78-25-41(60-47(70)38(56-29(4)66)21-30-12-16-33(17-13-30)64(76)77)50(73)58-39(22-31-14-18-34(67)19-15-31)48(71)59-40(23-32-24-55-36-10-6-5-9-35(32)36)49(72)57-37(46(69)62-43)11-7-8-20-53/h5-6,9-10,12-19,24,27-28,37-44,55,65,67H,7-8,11,20-23,25-26,53H2,1-4H3,(H2,54,68)(H,56,66)(H,57,72)(H,58,73)(H,59,71)(H,60,70)(H,61,75)(H,62,69)(H,63,74)/t28-,37-,38+,39-,40+,41+,42+,43+,44+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM81766
PNG
(CAS_3086456 | MK 678 | NSC_3086456)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)N(C)C(=O)C(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)
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0.480n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82465
PNG
(BIM 23023 | BIM-23023 | D-Phe-L-Cys(1)-L-Tyr-D-Trp...)
Show SMILES CC[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]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27-,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1
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0.570n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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0.850n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
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
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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1.43n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
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]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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1.47n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82254
PNG
(D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-Thr-NH2 | DC-25-10...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C41H60N10O9S2/c1-21(2)33(41(60)49-32(20-62)40(59)51-34(22(3)52)35(44)54)50-37(56)29(10-6-7-15-42)46-39(58)31(17-24-18-45-28-9-5-4-8-26(24)28)48-38(57)30(47-36(55)27(43)19-61)16-23-11-13-25(53)14-12-23/h4-5,8-9,11-14,18,21-22,27,29-34,45,52-53,61-62H,6-7,10,15-17,19-20,42-43H2,1-3H3,(H2,44,54)(H,46,58)(H,47,55)(H,48,57)(H,49,60)(H,50,56)(H,51,59)/t22-,27+,29+,30+,31+,32+,33+,34+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
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1.78n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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(C)O)C(=O)N1
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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2n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85671
PNG
(CAS_183658-72-2 | CYN 154806 | CYN-154806)
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)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(C)=O
Show InChI InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1
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4.47n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by PDSP Ki Database




Neuropharmacology 39: 1443-50 (2000)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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6.5n/an/an/an/an/an/an/an/a



INSERM U159

Curated by PDSP Ki Database




J Neurochem 68: 2263-72 (1997)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85671
PNG
(CAS_183658-72-2 | CYN 154806 | CYN-154806)
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)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(C)=O
Show InChI InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1
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7.94n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by PDSP Ki Database




Neuropharmacology 39: 1443-50 (2000)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82463
PNG
(Cyclo[L-Trp-D-Trp-L-Lys-L-Thr-L-Phe-(7-amino*hepta...)
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)CCCCCCNC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C57H70N10O8/c1-36(68)51-57(75)66-46(30-37-18-6-4-7-19-37)52(70)59-29-17-3-2-10-27-50(69)62-47(31-38-20-8-5-9-21-38)54(72)64-49(33-40-35-61-44-25-14-12-23-42(40)44)56(74)65-48(32-39-34-60-43-24-13-11-22-41(39)43)55(73)63-45(53(71)67-51)26-15-16-28-58/h4-9,11-14,18-25,34-36,45-49,51,60-61,68H,2-3,10,15-17,26-33,58H2,1H3,(H,59,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,71)/t36-,45+,46+,47+,48-,49+,51+/m1/s1
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12n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85013
PNG
(H2N-4-NO2-Phe-c[D-Cys-Tyr-D-Trp-Lys-Val-Cys]-Tyr-N...)
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]([C@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C50H66N12O12S2/c1-26(2)41-50(72)59-40(49(71)61-42(27(3)63)43(53)65)25-76-75-24-39(58-44(66)34(52)20-28-11-15-31(16-12-28)62(73)74)48(70)56-37(21-29-13-17-32(64)18-14-29)46(68)57-38(22-30-23-54-35-9-5-4-8-33(30)35)47(69)55-36(45(67)60-41)10-6-7-19-51/h4-5,8-9,11-18,23,26-27,34,36-42,54,63-64H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t27-,34-,36-,37-,38+,39+,40+,41+,42+/m0/s1
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12.9n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85010
PNG
(H2N-4-NO2-D-Phe-c[D-Cys-Tyr-D-Trp-Lys-Val-Cys]-Tyr...)
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]([C@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C50H66N12O12S2/c1-26(2)41-50(72)59-40(49(71)61-42(27(3)63)43(53)65)25-76-75-24-39(58-44(66)34(52)20-28-11-15-31(16-12-28)62(73)74)48(70)56-37(21-29-13-17-32(64)18-14-29)46(68)57-38(22-30-23-54-35-9-5-4-8-33(30)35)47(69)55-36(45(67)60-41)10-6-7-19-51/h4-5,8-9,11-18,23,26-27,34,36-42,54,63-64H,6-7,10,19-22,24-25,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t27-,34+,36-,37-,38+,39+,40+,41+,42+/m0/s1
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17.3n/an/an/an/an/an/an/an/a



Cyenamid Agricultural Research Center

Curated by PDSP Ki Database




Mol Pharmacol 50: 709-15 (1996)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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32n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85230
PNG
(BIM 23313)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O9S2/c1-32(66)46(54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(31-76)47(57)67)65-49(69)40(23-13-14-24-55)59-53(73)44(28-36-29-58-39-22-12-11-21-37(36)39)62-51(71)42(26-34-17-7-3-8-18-34)61-50(70)41(60-48(68)38(56)30-75)25-33-15-5-2-6-16-33/h2-12,15-22,29,32,38,40-46,58,66,75-76H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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45n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82257
PNG
(D-Phe-Phe-Tyr-D-Trp-Lys-Val-Phe-Thr-NH2 | DC-25-12)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(N)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H75N11O10/c1-36(2)52(61(82)70-49(32-39-19-9-5-10-20-39)59(80)72-53(37(3)73)54(64)75)71-55(76)46(25-15-16-30-62)66-58(79)50(34-42-35-65-45-24-14-13-23-44(42)45)68-56(77)47(33-40-26-28-43(74)29-27-40)67-57(78)48(31-38-17-7-4-8-18-38)69-60(81)51(63)41-21-11-6-12-22-41/h4-14,17-24,26-29,35-37,46-53,65,73-74H,15-16,25,30-34,62-63H2,1-3H3,(H2,64,75)(H,66,79)(H,67,78)(H,68,77)(H,69,81)(H,70,82)(H,71,76)(H,72,80)/t37-,46+,47+,48+,49+,50+,51?,52+,53+/m1/s1
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46n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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57n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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69n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(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](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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101n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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163n/an/an/an/an/an/an/an/a



INSERM U159

Curated by PDSP Ki Database




J Neurochem 68: 2263-72 (1997)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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835n/an/an/an/an/an/an/an/a



INSERM U159

Curated by PDSP Ki Database




J Neurochem 68: 2263-72 (1997)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85080
PNG
(CH-275 | CH275 | L-Cys(1)-L-Lys-L-Phe-L-Phe-D-Trp-...)
Show SMILES CC(C)NCc1ccc(C[C@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCCN)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(NC2=O)C(C)O)C(C)O)C(O)=O)cc1
Show InChI InChI=1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97)87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44(4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(76)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66(94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38-78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77-78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)(H,88,98)(H,102,103)/t43?,44?,52-,54?,55?,56?,57-,58-,59+,60-,61-,62?,63+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM82256
PNG
(BIM 23056 | CAS_150155-61-6 | D-Phe-Phe-Tyr-D-Trp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Tulane University

Curated by PDSP Ki Database




Peptides 15: 1421-4 (1994)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85080
PNG
(CH-275 | CH275 | L-Cys(1)-L-Lys-L-Phe-L-Phe-D-Trp-...)
Show SMILES CC(C)NCc1ccc(C[C@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCCN)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(NC2=O)C(C)O)C(C)O)C(O)=O)cc1
Show InChI InChI=1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97)87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44(4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(76)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66(94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38-78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77-78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)(H,88,98)(H,102,103)/t43?,44?,52-,54?,55?,56?,57-,58-,59+,60-,61-,62?,63+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



INSERM U159

Curated by PDSP Ki Database




J Neurochem 68: 2263-72 (1997)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50318385
PNG
(2-(4-{[(2-{[(3-{[1-(5-{[(1R)-1-{[(4R,7S,10S,13R,16...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)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
Show InChI InChI=1S/C83H115N19O23S3/c1-52(104)67(48-103)91-82(121)69-51-127-126-50-68(81(120)89-65(39-55-22-24-59(106)25-23-55)79(118)90-66(41-57-42-86-62-19-9-8-18-61(57)62)80(119)88-63(20-10-11-26-84)77(116)94-75(53(2)105)83(122)93-69)92-78(117)64(38-54-14-5-3-6-15-54)87-70(107)21-7-4-12-28-102-43-58(95-97-102)49-125-60-17-13-16-56(40-60)76(115)96-128(123,124)37-27-85-71(108)44-98-29-31-99(45-72(109)110)33-35-101(47-74(113)114)36-34-100(32-30-98)46-73(111)112/h3,5-6,8-9,13-19,22-25,40,42-43,52-53,63-69,75,86,103-106H,4,7,10-12,20-21,26-39,41,44-51,84H2,1-2H3,(H,85,108)(H,87,107)(H,88,119)(H,89,120)(H,90,118)(H,91,121)(H,92,117)(H,93,122)(H,94,116)(H,96,115)(H,109,110)(H,111,112)(H,113,114)/t52-,53-,63+,64-,65+,66-,67-,68+,69+,75+/m1/s1
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n/an/a 1.32n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells


J Med Chem 53: 3944-53 (2010)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50318388
PNG
((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2R,3...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(CO)nn2)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
Show InChI InChI=1S/C58H79N13O13S2/c1-34(74)47(31-73)65-57(83)49-33-86-85-32-48(66-53(79)44(25-36-13-5-3-6-14-36)61-50(77)18-7-4-12-24-71-29-39(30-72)69-70-71)56(82)63-45(26-37-19-21-40(76)22-20-37)54(80)64-46(27-38-28-60-42-16-9-8-15-41(38)42)55(81)62-43(17-10-11-23-59)52(78)68-51(35(2)75)58(84)67-49/h3,5-6,8-9,13-16,19-22,28-29,34-35,43-49,51,60,72-76H,4,7,10-12,17-18,23-27,30-33,59H2,1-2H3,(H,61,77)(H,62,81)(H,63,82)(H,64,80)(H,65,83)(H,66,79)(H,67,84)(H,68,78)/t34-,35-,43+,44-,45+,46-,47-,48+,49+,51+/m1/s1
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n/an/a 2.45n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells


J Med Chem 53: 3944-53 (2010)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50318386
PNG
(2-[7-({[2-({[3,5-bis({[1-(5-{[(1R)-1-{[(4R,7S,10S,...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)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
Show InChI InChI=1S/C141H192N32O36S5/c1-84(176)113(76-174)155-138(202)117-82-212-210-80-115(136(200)151-109(61-90-37-41-97(180)42-38-90)132(196)153-111(65-93-68-145-103-31-17-15-29-101(93)103)134(198)149-105(33-19-21-45-142)128(192)161-125(86(3)178)140(204)159-117)157-130(194)107(59-88-25-9-5-10-26-88)147-119(182)35-13-7-23-48-172-70-95(163-166-172)78-208-99-63-92(127(191)165-214(206,207)58-47-144-121(184)72-168-50-52-169(73-122(185)186)54-56-171(75-124(189)190)57-55-170(53-51-168)74-123(187)188)64-100(67-99)209-79-96-71-173(167-164-96)49-24-8-14-36-120(183)148-108(60-89-27-11-6-12-28-89)131(195)158-116-81-211-213-83-118(139(203)156-114(77-175)85(2)177)160-141(205)126(87(4)179)162-129(193)106(34-20-22-46-143)150-135(199)112(66-94-69-146-104-32-18-16-30-102(94)104)154-133(197)110(152-137(116)201)62-91-39-43-98(181)44-40-91/h5-6,9-12,15-18,25-32,37-44,63-64,67-71,84-87,105-118,125-126,145-146,174-181H,7-8,13-14,19-24,33-36,45-62,65-66,72-83,142-143H2,1-4H3,(H,144,184)(H,147,182)(H,148,183)(H,149,198)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,197)(H,155,202)(H,156,203)(H,157,194)(H,158,195)(H,159,204)(H,160,205)(H,161,192)(H,162,193)(H,165,191)(H,185,186)(H,187,188)(H,189,190)/t84-,85-,86-,87-,105+,106+,107-,108-,109+,110+,111-,112-,113-,114-,115+,116+,117+,118+,125+,126+/m1/s1
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n/an/a 2.45n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells


J Med Chem 53: 3944-53 (2010)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50318387
PNG
(2-[4-({[2-({[3,5-bis(2-{[3,5-bis({[1-(5-{[(1R)-1-{...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NCCOc3cc(OCCNC(=O)c4cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)c4)cc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)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
Show InChI InChI=1S/C275H364N60O66S9/c1-160(340)221(144-336)303-268(386)229-156-406-402-152-225(264(382)295-213(115-172-73-81-187(348)82-74-172)256(374)299-217(125-179-132-283-201-61-33-29-57-197(179)201)260(378)291-205(65-37-41-89-276)248(366)315-241(164(5)344)272(390)311-229)307-252(370)209(111-168-49-17-9-18-50-168)287-233(352)69-25-13-45-96-332-136-183(319-324-332)148-398-193-119-176(120-194(130-193)399-149-184-137-333(325-320-184)97-46-14-26-70-234(353)288-210(112-169-51-19-10-20-52-169)253(371)308-226-153-403-407-157-230(269(387)304-222(145-337)161(2)341)312-273(391)242(165(6)345)316-249(367)206(66-38-42-90-277)292-261(379)218(126-180-133-284-202-62-34-30-58-198(180)202)300-257(375)214(296-265(226)383)116-173-75-83-188(349)84-76-173)245(363)281-93-108-396-191-123-178(247(365)323-410(394,395)110-95-280-237(356)140-328-100-102-329(141-238(357)358)104-106-331(143-240(361)362)107-105-330(103-101-328)142-239(359)360)124-192(129-191)397-109-94-282-246(364)177-121-195(400-150-185-138-334(326-321-185)98-47-15-27-71-235(354)289-211(113-170-53-21-11-22-54-170)254(372)309-227-154-404-408-158-231(270(388)305-223(146-338)162(3)342)313-274(392)243(166(7)346)317-250(368)207(67-39-43-91-278)293-262(380)219(127-181-134-285-203-63-35-31-59-199(181)203)301-258(376)215(297-266(227)384)117-174-77-85-189(350)86-78-174)131-196(122-177)401-151-186-139-335(327-322-186)99-48-16-28-72-236(355)290-212(114-171-55-23-12-24-56-171)255(373)310-228-155-405-409-159-232(271(389)306-224(147-339)163(4)343)314-275(393)244(167(8)347)318-251(369)208(68-40-44-92-279)294-263(381)220(128-182-135-286-204-64-36-32-60-200(182)204)302-259(377)216(298-267(228)385)118-175-79-87-190(351)88-80-175/h9-12,17-24,29-36,49-64,73-88,119-124,129-139,160-167,205-232,241-244,283-286,336-351H,13-16,25-28,37-48,65-72,89-118,125-128,140-159,276-279H2,1-8H3,(H,280,356)(H,281,363)(H,282,364)(H,287,352)(H,288,353)(H,289,354)(H,290,355)(H,291,378)(H,292,379)(H,293,380)(H,294,381)(H,295,382)(H,296,383)(H,297,384)(H,298,385)(H,299,374)(H,300,375)(H,301,376)(H,302,377)(H,303,386)(H,304,387)(H,305,388)(H,306,389)(H,307,370)(H,308,371)(H,309,372)(H,310,373)(H,311,390)(H,312,391)(H,313,392)(H,314,393)(H,315,366)(H,316,367)(H,317,368)(H,318,369)(H,323,365)(H,357,358)(H,359,360)(H,361,362)/t160-,161-,162-,163-,164-,165-,166-,167-,205+,206+,207+,208+,209-,210-,211-,212-,213+,214+,215+,216+,217-,218-,219-,220-,221-,222-,223-,224-,225+,226+,227+,228+,229+,230+,231+,232+,241+,242+,243+,244+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells


J Med Chem 53: 3944-53 (2010)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423459
PNG
(CHEMBL253653)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(I)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H28IN5O/c1-29-15-16(25(32)31-11-9-30(10-12-31)22-7-2-3-8-27-22)13-18-17-5-4-6-20-23(17)19(14-21(18)29)24(26)28-20/h2-8,16,18,21,28H,9-15H2,1H3/t16-,18-,21-/m1/s1
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n/an/an/a 5.62E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423460
PNG
(CHEMBL253232)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H29N5O/c1-28-16-18(25(31)30-11-9-29(10-12-30)23-7-2-3-8-26-23)13-20-19-5-4-6-21-24(19)17(15-27-21)14-22(20)28/h2-8,15,18,20,22,27H,9-14,16H2,1H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.78E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423463
PNG
(CHEMBL254287)
Show SMILES CCN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H29BrF2N4O/c1-2-32-15-16(12-19-18-4-3-5-23-25(18)20(14-24(19)32)26(28)31-23)27(35)34-10-8-33(9-11-34)17-6-7-21(29)22(30)13-17/h3-7,13,16,19,24,31H,2,8-12,14-15H2,1H3/t16-,19-,24-/m1/s1
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n/an/an/a 1.32E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423466
PNG
(CHEMBL539415)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28BrClN4O/c1-30-15-16(26(33)32-11-9-31(10-12-32)18-7-5-17(28)6-8-18)13-20-19-3-2-4-22-24(19)21(14-23(20)30)25(27)29-22/h2-8,16,20,23,29H,9-15H2,1H3/t16-,20-,23-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423294
PNG
(CHEMBL248908)
Show SMILES COc1ccc(C=O)c2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc4nsnc4n3)Cc12
Show InChI InChI=1S/C26H30N6O3S/c1-30-14-18(11-17-12-20-19(13-22(17)30)16(15-33)3-5-23(20)35-2)26(34)32-9-7-31(8-10-32)24-6-4-21-25(27-24)29-36-28-21/h3-6,15,17-18,22H,7-14H2,1-2H3/t17-,18-,22-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423295
PNG
(CHEMBL251751)
Show SMILES CN1C[C@@H](C[C@@H]2Cc3c(C[C@@H]12)cccc3OC(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H38N4O6/c1-30(2,3)40-29(36)39-27-7-5-6-20-18-26-21(17-25(20)27)16-22(19-31(26)4)28(35)33-14-12-32(13-15-33)23-8-10-24(11-9-23)34(37)38/h5-11,21-22,26H,12-19H2,1-4H3/t21-,22-,26-/m1/s1
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n/an/an/a 1.55E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423301
PNG
(CHEMBL251542)
Show SMILES CC(C)Oc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
Show InChI InChI=1S/C28H36N4O4/c1-19(2)36-27-6-4-5-20-17-26-21(16-25(20)27)15-22(18-29(26)3)28(33)31-13-11-30(12-14-31)23-7-9-24(10-8-23)32(34)35/h4-10,19,21-22,26H,11-18H2,1-3H3/t21-,22-,26-/m1/s1
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n/an/an/a 5.75E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423303
PNG
(CHEMBL248907)
Show SMILES COc1ccc(Br)c2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc4nsnc4n3)Cc12
Show InChI InChI=1S/C25H29BrN6O2S/c1-30-14-16(11-15-12-18-17(13-21(15)30)19(26)3-5-22(18)34-2)25(33)32-9-7-31(8-10-32)23-6-4-20-24(27-23)29-35-28-20/h3-6,15-16,21H,7-14H2,1-2H3/t15-,16-,21-/m1/s1
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n/an/an/a 6.31E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423297
PNG
(CHEMBL251541 | Obelin)
Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1
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n/an/an/a 7.76E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423304
PNG
(CHEMBL248717)
Show SMILES COc1ccc(SC)c2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
Show InChI InChI=1S/C27H34N4O4S/c1-28-17-19(14-18-15-22-23(16-24(18)28)26(36-3)9-8-25(22)35-2)27(32)30-12-10-29(11-13-30)20-4-6-21(7-5-20)31(33)34/h4-9,18-19,24H,10-17H2,1-3H3/t18-,19-,24-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423296
PNG
(CHEMBL248716)
Show SMILES COc1ccc(Br)c2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
Show InChI InChI=1S/C26H31BrN4O4/c1-28-16-18(13-17-14-22-21(15-24(17)28)23(27)7-8-25(22)35-2)26(32)30-11-9-29(10-12-30)19-3-5-20(6-4-19)31(33)34/h3-8,17-18,24H,9-16H2,1-2H3/t17-,18-,24-/m1/s1
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n/an/an/a 9.12E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423308
PNG
(CHEMBL251753)
Show SMILES CN1C[C@@H](C[C@@H]2Cc3c(C[C@@H]12)cccc3OS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2nsnc2n1
Show InChI InChI=1S/C31H34N6O4S2/c1-20-6-8-24(9-7-20)43(39,40)41-28-5-3-4-21-18-27-22(17-25(21)28)16-23(19-35(27)2)31(38)37-14-12-36(13-15-37)29-11-10-26-30(32-29)34-42-33-26/h3-11,22-23,27H,12-19H2,1-2H3/t22-,23-,27-/m1/s1
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n/an/an/a 1.91E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane


Bioorg Med Chem Lett 17: 3983-7 (2007)

More data for this
Ligand-Target Pair
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