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Compile Data Set for Download or QSAR

Found 1488 hits with Last Name = 'patchett' and Initial = 'aa'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50103430
PNG
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Somatostatin receptor type 2 (hsst2)


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM85357
PNG
(2-[[(2R,3S)-2-[[4-[(2-Oxo-2,3-dihydro-1H-benzimida...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)NC(CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28?,30+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064772
PNG
(Ala-Gly-cyclo[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-...)
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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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst2 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
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
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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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
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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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand


J Med Chem 39: 1767-70 (1996)


Article DOI: 10.1021/jm960054c
BindingDB Entry DOI: 10.7270/Q2BK1BDG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
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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0.270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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
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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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064772
PNG
(Ala-Gly-cyclo[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-...)
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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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst1 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064778
PNG
((5S,8R,11R,14R,17R,19aR)-11-(4-Amino-butyl)-17-ben...)
Show SMILES CC(O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCCN)NC1=O
Show InChI InChI=1S/C44H54N8O8/c1-26(53)38-43(59)47-33(14-7-8-20-45)39(55)48-35(24-29-25-46-32-13-6-5-12-31(29)32)40(56)50-36(23-28-16-18-30(54)19-17-28)44(60)52-21-9-15-37(52)42(58)49-34(41(57)51-38)22-27-10-3-2-4-11-27/h2-6,10-13,16-19,25-26,33-38,46,53-54H,7-9,14-15,20-24,45H2,1H3,(H,47,59)(H,48,55)(H,49,58)(H,50,56)(H,51,57)/t26?,33-,34-,35-,36+,37-,38-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096823
PNG
((S)-6-Amino-2-[(S)-2-[(1-benzoyl-piperidine-4-carb...)
Show SMILES C[C@H](C(NC(=O)C1CCN(CC1)C(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N5O5/c1-23(27-22-37-28-15-9-8-14-26(27)28)30(32(42)38-29(16-10-11-19-36)34(44)45-35(2,3)4)39-31(41)24-17-20-40(21-18-24)33(43)25-12-6-5-7-13-25/h5-9,12-15,22-24,29-30,37H,10-11,16-21,36H2,1-4H3,(H,38,42)(H,39,41)/t23-,29-,30?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Somatostatin receptor type 2 was determined


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50454938
PNG
(CHEMBL2052017 | L-363377)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC1=O
Show InChI InChI=1S/C44H54N8O8/c1-26(53)38-43(59)47-33(14-7-8-20-45)39(55)48-35(24-29-25-46-32-13-6-5-12-31(29)32)40(56)50-36(23-28-16-18-30(54)19-17-28)44(60)52-21-9-15-37(52)42(58)49-34(41(57)51-38)22-27-10-3-2-4-11-27/h2-6,10-13,16-19,25-26,33-38,46,53-54H,7-9,14-15,20-24,45H2,1H3,(H,47,59)(H,48,55)(H,49,58)(H,50,56)(H,51,57)/t26-,33+,34+,35-,36+,37+,38+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst2 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(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
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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0.660n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064772
PNG
(Ala-Gly-cyclo[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-...)
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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0.660n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst3 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075292
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[3-(3-p...)
Show SMILES C[C@H]([C@@H](NC(=O)NCCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C32H45N5O4/c1-22(25-21-35-26-17-9-8-16-24(25)26)28(37-31(40)34-20-12-15-23-13-6-5-7-14-23)29(38)36-27(18-10-11-19-33)30(39)41-32(2,3)4/h5-9,13-14,16-17,21-22,27-28,35H,10-12,15,18-20,33H2,1-4H3,(H,36,38)(H2,34,37,40)/t22-,27+,28+/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075272
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-2-[3-(3...)
Show SMILES C[C@H]([C@@H](N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H41N5O4/c1-24(30-20-37-31-15-9-8-14-29(30)31)33(34(41)38-21-32-43-22-27(36)23-44-32)40-19-18-39(35(40)42)17-16-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,20,24,27-28,32-33,37H,16-19,21-23,36H2,1H3,(H,38,41)/t24-,27-,32-,33+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 2


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075271
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...)
Show SMILES C[C@H]([C@@H](N1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H42F3N5O4/c1-21(25-19-38-26-10-6-5-9-24(25)26)28(29(42)39-27(11-7-8-16-37)30(43)45-32(2,3)4)41-18-17-40(31(41)44)20-22-12-14-23(15-13-22)33(34,35)36/h5-6,9-10,12-15,19,21,27-28,38H,7-8,11,16-18,20,37H2,1-4H3,(H,39,42)/t21-,27+,28+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075283
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...)
Show SMILES C[C@H]([C@@H](N1CCN(C2CCCN(C2)c2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H50N6O4/c1-25(29-23-38-30-17-9-8-16-28(29)30)32(33(43)39-31(18-10-11-19-37)34(44)46-36(2,3)4)42-22-21-41(35(42)45)27-15-12-20-40(24-27)26-13-6-5-7-14-26/h5-9,13-14,16-17,23,25,27,31-32,38H,10-12,15,18-22,24,37H2,1-4H3,(H,39,43)/t25-,27?,31+,32+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064773
PNG
(1'N-[1-[3-aminomethyl-(1S,3R)-cyclohexylmethylcarb...)
Show SMILES NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(CC2)C=Cc2ccccc32)C1
Show InChI InChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst1 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(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
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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1.76n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064772
PNG
(Ala-Gly-cyclo[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-...)
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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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst4 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50075278
PNG
(CHEMBL147319 | methyl 6-amino-2-[2-(1H-3-indolyl)-...)
Show SMILES COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C32H41N5O4/c1-41-30(39)27(12-6-7-17-33)35-29(38)28(20-23-21-34-26-11-5-3-9-24(23)26)36-31(40)37-18-15-32(16-19-37)14-13-22-8-2-4-10-25(22)32/h2-5,8-11,21,27-28,34H,6-7,12-20,33H2,1H3,(H,35,38)(H,36,40)/t27-,28-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075273
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)
Show SMILES C[C@H]([C@@H](N1CCN(C2CCCN(C2)c2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C32H42N6O4/c1-22(27-17-34-28-13-7-6-12-26(27)28)30(31(39)35(2)19-29-41-20-23(33)21-42-29)38-16-15-37(32(38)40)25-11-8-14-36(18-25)24-9-4-3-5-10-24/h3-7,9-10,12-13,17,22-23,25,29-30,34H,8,11,14-16,18-21,33H2,1-2H3/t22-,23-,25?,29-,30+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 1


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075286
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[3-meth...)
Show SMILES C[C@H]([C@@H](NC(=O)N(C)CCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H47N5O4/c1-23(26-22-35-27-18-10-9-17-25(26)27)29(37-32(41)38(5)21-13-16-24-14-7-6-8-15-24)30(39)36-28(19-11-12-20-34)31(40)42-33(2,3)4/h6-10,14-15,17-18,22-23,28-29,35H,11-13,16,19-21,34H2,1-5H3,(H,36,39)(H,37,41)/t23-,28+,29+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096830
PNG
((S)-6-Amino-2-[(S)-2-({1-[2-(3,5-difluoro-phenyl)-...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H47F2N5O5/c1-22(28-20-40-29-12-6-5-11-27(28)29)32(34(46)41-30(13-7-8-14-39)35(47)48-36(2,3)4)42-33(45)24-10-9-15-43(21-24)31(44)18-23-16-25(37)19-26(38)17-23/h5-6,11-12,16-17,19-20,22,24,30,32,40H,7-10,13-15,18,21,39H2,1-4H3,(H,41,46)(H,42,45)/t22-,24?,30-,32?/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064772
PNG
(Ala-Gly-cyclo[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-...)
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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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst5 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(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
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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2.32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 95: 10836-41 (1998)


Article DOI: 10.1073/pnas.95.18.10836
BindingDB Entry DOI: 10.7270/Q2XW4HCM
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096824
PNG
((S)-6-Amino-2-[(S)-2-[(1-benzyl-piperidine-4-carbo...)
Show SMILES C[C@H](C(NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H49N5O4/c1-24(28-22-37-29-15-9-8-14-27(28)29)31(33(42)38-30(16-10-11-19-36)34(43)44-35(2,3)4)39-32(41)26-17-20-40(21-18-26)23-25-12-6-5-7-13-25/h5-9,12-15,22,24,26,30-31,37H,10-11,16-21,23,36H2,1-4H3,(H,38,42)(H,39,41)/t24-,30-,31?/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Somatostatin receptor type 2 was determined


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096829
PNG
((S)-6-Amino-2-[(S)-2-{[1-(2-hydroxy-2,2-diphenyl-a...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C42H53N5O6/c1-28(33-26-44-34-22-12-11-21-32(33)34)36(38(49)45-35(23-13-14-24-43)39(50)53-41(2,3)4)46-37(48)29-16-15-25-47(27-29)40(51)42(52,30-17-7-5-8-18-30)31-19-9-6-10-20-31/h5-12,17-22,26,28-29,35-36,44,52H,13-16,23-25,27,43H2,1-4H3,(H,45,49)(H,46,48)/t28-,29?,35-,36?/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096835
PNG
((S)-6-Amino-2-[(S)-2-{[1-(3,4-difluoro-benzyl)-pip...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47F2N5O4/c1-22(26-19-39-29-12-6-5-11-25(26)29)31(33(44)40-30(13-7-8-16-38)34(45)46-35(2,3)4)41-32(43)24-10-9-17-42(21-24)20-23-14-15-27(36)28(37)18-23/h5-6,11-12,14-15,18-19,22,24,30-31,39H,7-10,13,16-17,20-21,38H2,1-4H3,(H,40,44)(H,41,43)/t22-,24?,30-,31?/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075275
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...)
Show SMILES C[C@H]([C@@H](N1CCN(CCCc2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C34H47N5O4/c1-24(27-23-36-28-17-9-8-16-26(27)28)30(31(40)37-29(18-10-11-19-35)32(41)43-34(2,3)4)39-22-21-38(33(39)42)20-12-15-25-13-6-5-7-14-25/h5-9,13-14,16-17,23-24,29-30,36H,10-12,15,18-22,35H2,1-4H3,(H,37,40)/t24-,29+,30+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064774
PNG
(1'N-[1-(3-aminomethylcyclohexylmethylcarbamoyl)-2-...)
Show SMILES NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(CC2)C=Cc2ccccc32)C1
Show InChI InChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23?,24?,30-/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst2 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096822
PNG
((S)-6-Amino-2-[(S)-2-[(1-benzyl-piperidine-3-carbo...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H49N5O4/c1-24(28-21-37-29-17-9-8-16-27(28)29)31(33(42)38-30(18-10-11-19-36)34(43)44-35(2,3)4)39-32(41)26-15-12-20-40(23-26)22-25-13-6-5-7-14-25/h5-9,13-14,16-17,21,24,26,30-31,37H,10-12,15,18-20,22-23,36H2,1-4H3,(H,38,42)(H,39,41)/t24-,26?,30-,31?/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075290
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-2-[3-(3...)
Show SMILES C[C@H]([C@@H](N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H43N5O4/c1-25(31-21-38-32-16-10-9-15-30(31)32)34(35(42)39(2)22-33-44-23-28(37)24-45-33)41-20-19-40(36(41)43)18-17-29(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-16,21,25,28-29,33-34,38H,17-20,22-24,37H2,1-2H3/t25-,28-,33-,34+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096810
PNG
((S)-6-Amino-2-[(S)-2-[(1-diphenylacetyl-piperidine...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C42H53N5O5/c1-28(33-26-44-34-22-12-11-21-32(33)34)37(39(49)45-35(23-13-14-24-43)41(51)52-42(2,3)4)46-38(48)31-20-15-25-47(27-31)40(50)36(29-16-7-5-8-17-29)30-18-9-6-10-19-30/h5-12,16-19,21-22,26,28,31,35-37,44H,13-15,20,23-25,27,43H2,1-4H3,(H,45,49)(H,46,48)/t28-,31?,35-,37?/m0/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096812
PNG
((S)-6-Amino-2-[(S)-2-{[1-(3-fluoro-benzyl)-piperid...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H48FN5O4/c1-23(28-20-38-29-15-6-5-14-27(28)29)31(33(43)39-30(16-7-8-17-37)34(44)45-35(2,3)4)40-32(42)25-12-10-18-41(22-25)21-24-11-9-13-26(36)19-24/h5-6,9,11,13-15,19-20,23,25,30-31,38H,7-8,10,12,16-18,21-22,37H2,1-4H3,(H,39,43)(H,40,42)/t23-,25?,30-,31?/m0/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096816
PNG
((S)-6-Amino-2-[(S)-2-{[1-(2,3-difluoro-benzyl)-pip...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47F2N5O4/c1-22(26-19-39-28-15-6-5-13-25(26)28)31(33(44)40-29(16-7-8-17-38)34(45)46-35(2,3)4)41-32(43)24-12-10-18-42(21-24)20-23-11-9-14-27(36)30(23)37/h5-6,9,11,13-15,19,22,24,29,31,39H,7-8,10,12,16-18,20-21,38H2,1-4H3,(H,40,44)(H,41,43)/t22-,24?,29-,31?/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075276
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...)
Show SMILES CC(CCN1CCN([C@H]([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)C1=O)c1ccccc1
Show InChI InChI=1S/C35H49N5O4/c1-24(26-13-7-6-8-14-26)18-20-39-21-22-40(34(39)43)31(25(2)28-23-37-29-16-10-9-15-27(28)29)32(41)38-30(17-11-12-19-36)33(42)44-35(3,4)5/h6-10,13-16,23-25,30-31,37H,11-12,17-22,36H2,1-5H3,(H,38,41)/t24?,25-,30+,31+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50049479
PNG
((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand


J Med Chem 39: 1767-70 (1996)


Article DOI: 10.1021/jm960054c
BindingDB Entry DOI: 10.7270/Q2BK1BDG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075280
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...)
Show SMILES C[C@H]([C@@H](N1CCN(C2CCC(CC2)c2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C37H51N5O4/c1-25(30-24-39-31-15-9-8-14-29(30)31)33(34(43)40-32(16-10-11-21-38)35(44)46-37(2,3)4)42-23-22-41(36(42)45)28-19-17-27(18-20-28)26-12-6-5-7-13-26/h5-9,12-15,24-25,27-28,32-33,39H,10-11,16-23,38H2,1-4H3,(H,40,43)/t25-,27?,28?,32+,33+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 2


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096821
PNG
((S)-6-Amino-2-[(S)-2-[(1-cyclohexylcarbamoyl-piper...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)NC1CCCCC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H54N6O5/c1-23(27-21-37-28-17-9-8-16-26(27)28)30(32(43)39-29(18-10-11-19-36)33(44)46-35(2,3)4)40-31(42)24-13-12-20-41(22-24)34(45)38-25-14-6-5-7-15-25/h8-9,16-17,21,23-25,29-30,37H,5-7,10-15,18-20,22,36H2,1-4H3,(H,38,45)(H,39,43)(H,40,42)/t23-,24?,29-,30?/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075279
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-2-[3-(3...)
Show SMILES C[C@H]([C@@H](N1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H31Cl2N5O4/c1-16(20-11-31-23-5-3-2-4-19(20)23)25(26(35)32-12-24-37-14-18(30)15-38-24)34-9-8-33(27(34)36)13-17-6-7-21(28)22(29)10-17/h2-7,10-11,16,18,24-25,31H,8-9,12-15,30H2,1H3,(H,32,35)/t16-,18-,24-,25+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075272
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-2-[3-(3...)
Show SMILES C[C@H]([C@@H](N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H41N5O4/c1-24(30-20-37-31-15-9-8-14-29(30)31)33(34(41)38-21-32-43-22-27(36)23-44-32)40-19-18-39(35(40)42)17-16-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,20,24,27-28,32-33,37H,16-19,21-23,36H2,1H3,(H,38,41)/t24-,27-,32-,33+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096820
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-((S)-1-...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC(C1)C(=O)NC([C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C39H54N6O7/c1-25(29-23-41-30-18-10-9-17-28(29)30)33(35(47)42-31(19-11-12-20-40)37(49)52-39(2,3)4)44-34(46)27-16-13-21-45(24-27)38(50)43-32(36(48)51-5)22-26-14-7-6-8-15-26/h6-10,14-15,17-18,23,25,27,31-33,41H,11-13,16,19-22,24,40H2,1-5H3,(H,42,47)(H,43,50)(H,44,46)/t25-,27?,31-,32-,33?/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096831
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(3-meth...)
Show SMILES COc1cccc(NC(=O)N2CCCC(C2)C(=O)NC([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C36H50N6O6/c1-23(28-21-38-29-16-7-6-15-27(28)29)31(33(44)40-30(17-8-9-18-37)34(45)48-36(2,3)4)41-32(43)24-12-11-19-42(22-24)35(46)39-25-13-10-14-26(20-25)47-5/h6-7,10,13-16,20-21,23-24,30-31,38H,8-9,11-12,17-19,22,37H2,1-5H3,(H,39,46)(H,40,44)(H,41,43)/t23-,24?,30-,31?/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50075289
PNG
(1-[5-amino-1-methyloxycarbonyl-(1R)-pentylcarbamoy...)
Show SMILES COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)OC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C32H40N4O5/c1-40-30(38)27(12-6-7-17-33)35-29(37)28(20-23-21-34-26-11-5-3-9-24(23)26)41-31(39)36-18-15-32(16-19-36)14-13-22-8-2-4-10-25(22)32/h2-5,8-11,21,27-28,34H,6-7,12-20,33H2,1H3,(H,35,37)/t27-,28-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50075281
PNG
(1'N-[1-(5-aminopentylcarbamoyl)-2-(1H-3-indolyl)-(...)
Show SMILES NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C30H39N5O2/c31-16-6-1-7-17-32-28(36)27(20-23-21-33-26-11-5-3-9-24(23)26)34-29(37)35-18-14-30(15-19-35)13-12-22-8-2-4-10-25(22)30/h2-5,8-11,21,27,33H,1,6-7,12-20,31H2,(H,32,36)(H,34,37)/t27-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50075274
PNG
(1'N-[1-(5-aminopentylcarbamoyl)-2-(1H-3-indolyl)-(...)
Show SMILES CN([C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN)C(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C31H41N5O2/c1-35(30(38)36-19-15-31(16-20-36)14-13-23-9-3-5-11-26(23)31)28(29(37)33-18-8-2-7-17-32)21-24-22-34-27-12-6-4-10-25(24)27/h3-6,9-12,22,28,34H,2,7-8,13-21,32H2,1H3,(H,33,37)/t28-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096832
PNG
((S)-6-Amino-2-[(S)-2-{[1-(2-benzo[1,3]dioxol-5-yl-...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)Cc1ccc2OCOc2c1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C37H49N5O7/c1-23(27-20-39-28-12-6-5-11-26(27)28)33(35(45)40-29(13-7-8-16-38)36(46)49-37(2,3)4)41-34(44)25-10-9-17-42(21-25)32(43)19-24-14-15-30-31(18-24)48-22-47-30/h5-6,11-12,14-15,18,20,23,25,29,33,39H,7-10,13,16-17,19,21-22,38H2,1-4H3,(H,40,45)(H,41,44)/t23-,25?,29-,33?/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096827
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(3-meth...)
Show SMILES COc1cccc(CN2CCCC(C2)C(=O)NC([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C36H51N5O5/c1-24(29-21-38-30-16-7-6-15-28(29)30)32(34(43)39-31(17-8-9-18-37)35(44)46-36(2,3)4)40-33(42)26-13-11-19-41(23-26)22-25-12-10-14-27(20-25)45-5/h6-7,10,12,14-16,20-21,24,26,31-32,38H,8-9,11,13,17-19,22-23,37H2,1-5H3,(H,39,43)(H,40,42)/t24-,26?,31-,32?/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor


Bioorg Med Chem Lett 11: 415-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00687-9
BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
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