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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'huskey' and Initial = 'se'   
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))
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)


BindingDB Entry DOI: 10.7270/Q2474949
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(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)


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 |wU:2.2,26.28,wD:29.32,1.0,(-1.79,4.28,;-1.77,2.74,;-.43,1.97,;.89,2.75,;.87,4.29,;3.54,4.3,;3.55,2.77,;4.9,2.04,;4.96,.5,;6.32,-.22,;7.63,.57,;7.58,2.11,;6.22,2.84,;8.89,2.93,;8.83,4.47,;10.14,5.28,;11.5,4.54,;11.54,3,;10.24,2.19,;2.22,2,;2.24,.46,;-.43,.44,;1.1,.43,;-1.21,-.89,;-2.75,-.87,;-.46,-2.22,;-1.24,-3.54,;-.47,-4.88,;-1.25,-6.21,;-2.8,-6.2,;-3.58,-7.51,;-3.56,-4.86,;-2.77,-3.53,;-3.1,1.96,;-3.09,.43,;-4.42,-.36,;-5.75,.41,;-7.08,-.36,;-8.43,.41,;-8.43,1.96,;-7.08,2.73,;-5.75,1.96,)|
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2474949
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)


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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2FB5235
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)


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 |wU:2.2,29.31,wD:32.35,1.0,(-1.21,3.06,;-1.19,1.52,;.15,.76,;1.47,1.53,;1.45,3.07,;4.13,3.1,;4.14,1.56,;5.48,.79,;6.8,1.58,;8.14,.81,;9.47,1.59,;10.8,.83,;12.13,1.6,;12.12,3.14,;10.76,3.9,;9.45,3.12,;8.15,-.73,;6.82,-1.5,;6.84,-3.04,;8.17,-3.81,;9.5,-3.02,;9.48,-1.48,;2.81,.77,;2.82,-.77,;.15,-.78,;1.69,-.78,;-.63,-2.11,;-2.17,-2.08,;.12,-3.44,;-.65,-4.77,;.12,-6.11,;-.67,-7.44,;-2.22,-7.43,;-3,-8.75,;-2.96,-6.07,;-2.19,-4.76,;-2.52,.74,;-2.51,-.79,;-3.84,-1.57,;-5.17,-.8,;-6.51,-1.57,;-7.86,-.8,;-7.86,.74,;-6.51,1.51,;-5.17,.74,)|
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)


BindingDB Entry DOI: 10.7270/Q2FB5235
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)


BindingDB Entry DOI: 10.7270/Q2474949
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2FB5235
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 |wU:2.2,24.26,wD:1.0,(-2.79,3.61,;-2.78,2.07,;-1.44,1.3,;-.12,2.08,;-.13,3.62,;2.54,3.63,;2.55,2.09,;3.9,1.35,;3.9,-.21,;5.23,-.96,;6.56,-.19,;6.56,1.35,;5.21,2.11,;7.89,-.96,;9.21,-.17,;10.55,-.93,;10.57,-2.48,;9.22,-3.25,;7.89,-2.5,;1.22,1.32,;1.24,-.22,;-1.44,-.23,;.1,-.24,;-2.28,-1.52,;-1.56,-2.89,;-2.39,-4.18,;-1.7,-5.56,;-2.52,-6.84,;-1.81,-8.22,;-2.65,-9.52,;-.02,-2.96,;.8,-1.66,;.68,-4.32,;.61,-5.86,;1.9,-6.7,;.54,-7.4,;-.76,-6.58,;-4.11,1.28,;-4.1,-.24,;-5.43,-1.03,;-6.76,-.26,;-8.11,-1.03,;-9.42,-.26,;-9.42,1.28,;-8.11,2.05,;-6.76,1.28,)|
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)


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)


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 |wU:2.2,22.23,wD:25.27,1.0,(-.86,3.13,;-.83,1.59,;.5,.83,;1.83,1.6,;1.82,3.14,;4.49,3.17,;4.49,1.63,;5.84,.86,;7.16,1.65,;8.5,.88,;9.83,1.66,;9.81,3.2,;11.14,3.98,;8.47,3.96,;8.45,5.5,;7.15,3.17,;3.16,.84,;3.18,-.7,;.5,-.71,;2.05,-.71,;-.27,-2.04,;.47,-3.37,;-.3,-4.7,;.47,-6.04,;-.32,-7.37,;-1.86,-7.36,;-2.65,-8.68,;-2.61,-6,;-1.84,-4.69,;-2.16,.81,;-2.16,-.72,;-3.49,-1.5,;-4.82,-.73,;-6.15,-1.5,;-7.48,-.73,;-7.48,.81,;-6.15,1.58,;-4.82,.81,)|
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)


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 |wU:2.2,28.30,wD:31.34,1.0,(-.69,3.24,;-.68,1.7,;.66,.93,;1.98,1.7,;1.97,3.24,;4.64,3.26,;4.65,1.72,;6,.97,;7.31,1.74,;8.66,.98,;9.99,1.77,;11.32,1,;12.65,1.77,;12.65,3.33,;11.29,4.08,;9.97,3.31,;8.66,-.56,;7.33,-1.33,;7.35,-2.87,;8.69,-3.62,;10.02,-2.83,;10.01,-1.31,;3.32,.95,;3.34,-.59,;.66,-.61,;2.2,-.61,;-.12,-1.94,;.64,-3.27,;-.14,-4.6,;.63,-5.93,;-.16,-7.26,;-1.7,-7.26,;-2.49,-8.57,;-2.45,-5.91,;-1.67,-4.58,;-2.01,.91,;-2,-.61,;-3.33,-1.41,;-4.66,-.64,;-6,-1.41,;-7.33,-.64,;-7.33,.91,;-6,1.68,;-4.66,.91,)|
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 of the compound was evaluated against human Somatostatin receptor type 2 in experiment 2


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


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 |wU:2.2,28.30,wD:31.34,1.0,(-.69,3.24,;-.68,1.7,;.66,.93,;1.98,1.7,;1.97,3.24,;4.64,3.26,;4.65,1.72,;6,.97,;7.31,1.74,;8.66,.98,;9.99,1.77,;11.32,1,;12.65,1.77,;12.65,3.33,;11.29,4.08,;9.97,3.31,;8.66,-.56,;7.33,-1.33,;7.35,-2.87,;8.69,-3.62,;10.02,-2.83,;10.01,-1.31,;3.32,.95,;3.34,-.59,;.66,-.61,;2.2,-.61,;-.12,-1.94,;.64,-3.27,;-.14,-4.6,;.63,-5.93,;-.16,-7.26,;-1.7,-7.26,;-2.49,-8.57,;-2.45,-5.91,;-1.67,-4.58,;-2.01,.91,;-2,-.61,;-3.33,-1.41,;-4.66,-.64,;-6,-1.41,;-7.33,-.64,;-7.33,.91,;-6,1.68,;-4.66,.91,)|
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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096811
PNG
((S)-6-Amino-2-[(S)-2-[(1-benzoyl-piperidine-3-carb...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)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(27-21-37-28-17-9-8-16-26(27)28)30(32(42)38-29(18-10-11-19-36)34(44)45-35(2,3)4)39-31(41)25-15-12-20-40(22-25)33(43)24-13-6-5-7-14-24/h5-9,13-14,16-17,21,23,25,29-30,37H,10-12,15,18-20,22,36H2,1-4H3,(H,38,42)(H,39,41)/t23-,25?,29-,30?/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)


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)


BindingDB Entry DOI: 10.7270/Q2474949
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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096819
PNG
(3-{3-[(S)-1-((S)-5-Amino-1-tert-butoxycarbonyl-pen...)
Show SMILES COC(=O)c1cccc(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/C37H51N5O6/c1-24(29-21-39-30-16-7-6-15-28(29)30)32(34(44)40-31(17-8-9-18-38)36(46)48-37(2,3)4)41-33(43)27-14-11-19-42(23-27)22-25-12-10-13-26(20-25)35(45)47-5/h6-7,10,12-13,15-16,20-21,24,27,31-32,39H,8-9,11,14,17-19,22-23,38H2,1-5H3,(H,40,44)(H,41,43)/t24-,27?,31-,32?/m0/s1
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11n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075277
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)
Show SMILES C[C@H]([C@@H](N1CCN(CCCc2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,23.24,wD:26.28,1.0,(-1.32,3.36,;-1.3,1.82,;.03,1.05,;1.36,1.84,;1.36,3.38,;4.03,3.39,;4.03,1.85,;5.39,1.09,;6.71,1.87,;8.05,1.11,;9.38,1.89,;9.36,3.43,;10.69,4.2,;12.03,3.45,;12.05,1.91,;10.72,1.12,;2.7,1.07,;2.72,-.48,;.03,-.48,;1.59,-.49,;-.74,-1.81,;-2.28,-1.8,;.01,-3.16,;-.76,-4.47,;.01,-5.83,;-.79,-7.16,;-2.33,-7.14,;-3.13,-8.47,;-3.08,-5.8,;-2.31,-4.47,;-2.63,1.04,;-2.63,-.5,;-3.97,-1.29,;-5.3,-.51,;-6.63,-1.29,;-7.97,-.51,;-7.97,1.03,;-6.63,1.82,;-5.3,1.04,)|
Show InChI InChI=1S/C30H39N5O4/c1-21(25-17-32-26-13-7-6-12-24(25)26)28(29(36)33(2)18-27-38-19-23(31)20-39-27)35-16-15-34(30(35)37)14-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-13,17,21,23,27-28,32H,8,11,14-16,18-20,31H2,1-2H3/t21-,23-,27-,28+/m0/s1
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11n/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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096833
PNG
((S)-6-Amino-2-[(S)-2-{[1-(4-fluoro-benzenesulfonyl...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C34H46FN5O6S/c1-22(27-20-37-28-12-6-5-11-26(27)28)30(32(42)38-29(13-7-8-18-36)33(43)46-34(2,3)4)39-31(41)23-10-9-19-40(21-23)47(44,45)25-16-14-24(35)15-17-25/h5-6,11-12,14-17,20,22-23,29-30,37H,7-10,13,18-19,21,36H2,1-4H3,(H,38,42)(H,39,41)/t22-,23?,29-,30?/m0/s1
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11n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096804
PNG
((S)-6-Amino-2-{(S)-3-(1H-indol-3-yl)-2-[(1-phenylc...)
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/C35H48N6O5/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/h5-9,14-17,21,23-24,29-30,37H,10-13,18-20,22,36H2,1-4H3,(H,38,45)(H,39,43)(H,40,42)/t23-,24?,29-,30?/m0/s1
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11n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075293
PNG
((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[3-(1-m...)
Show SMILES CC(CCc1ccccc1)N1CCN([C@H]([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C35H49N5O4/c1-24(18-19-26-13-7-6-8-14-26)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(17-11-12-20-36)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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12n/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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096834
PNG
((S)-6-Amino-2-[(S)-2-{[1-(4-chloro-benzo[1,3]dioxo...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2ccc3OCOc3c2Cl)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H48ClN5O6/c1-22(26-18-39-27-12-6-5-11-25(26)27)31(34(44)40-28(13-7-8-16-38)35(45)48-36(2,3)4)41-33(43)24-10-9-17-42(20-24)19-23-14-15-29-32(30(23)37)47-21-46-29/h5-6,11-12,14-15,18,22,24,28,31,39H,7-10,13,16-17,19-21,38H2,1-4H3,(H,40,44)(H,41,43)/t22-,24?,28-,31?/m0/s1
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12n/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)


BindingDB Entry DOI: 10.7270/Q2474949
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 |wU:2.2,26.28,wD:29.32,1.0,(-1.79,4.28,;-1.77,2.74,;-.43,1.97,;.89,2.75,;.87,4.29,;3.54,4.3,;3.55,2.77,;4.9,2.04,;4.96,.5,;6.32,-.22,;7.63,.57,;7.58,2.11,;6.22,2.84,;8.89,2.93,;8.83,4.47,;10.14,5.28,;11.5,4.54,;11.54,3,;10.24,2.19,;2.22,2,;2.24,.46,;-.43,.44,;1.1,.43,;-1.21,-.89,;-2.75,-.87,;-.46,-2.22,;-1.24,-3.54,;-.47,-4.88,;-1.25,-6.21,;-2.8,-6.2,;-3.58,-7.51,;-3.56,-4.86,;-2.77,-3.53,;-3.1,1.96,;-3.09,.43,;-4.42,-.36,;-5.75,.41,;-7.08,-.36,;-8.43,.41,;-8.43,1.96,;-7.08,2.73,;-5.75,1.96,)|
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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14n/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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096836
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(thioph...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)S(=O)(=O)c1cccs1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C32H45N5O6S2/c1-21(24-19-34-25-13-6-5-12-23(24)25)28(30(39)35-26(14-7-8-16-33)31(40)43-32(2,3)4)36-29(38)22-11-9-17-37(20-22)45(41,42)27-15-10-18-44-27/h5-6,10,12-13,15,18-19,21-22,26,28,34H,7-9,11,14,16-17,20,33H2,1-4H3,(H,35,39)(H,36,38)/t21-,22?,26-,28?/m0/s1
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14n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075287
PNG
((R)-6-Amino-2-[(2R,3S)-2-(3-benzyl-2-oxo-imidazoli...)
Show SMILES C[C@H]([C@@H](N1CCN(Cc2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C32H43N5O4/c1-22(25-20-34-26-15-9-8-14-24(25)26)28(37-19-18-36(31(37)40)21-23-12-6-5-7-13-23)29(38)35-27(16-10-11-17-33)30(39)41-32(2,3)4/h5-9,12-15,20,22,27-28,34H,10-11,16-19,21,33H2,1-4H3,(H,35,38)/t22-,27+,28+/m0/s1
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14n/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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096825
PNG
((S)-6-Amino-2-{(S)-3-(1H-indol-3-yl)-2-[(1-isobuty...)
Show SMILES CC(C)C(=O)N1CCC(CC1)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/C32H49N5O5/c1-20(2)30(40)37-17-14-22(15-18-37)28(38)36-27(21(3)24-19-34-25-12-8-7-11-23(24)25)29(39)35-26(13-9-10-16-33)31(41)42-32(4,5)6/h7-8,11-12,19-22,26-27,34H,9-10,13-18,33H2,1-6H3,(H,35,39)(H,36,38)/t21-,26-,27?/m0/s1
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15n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096809
PNG
((S)-6-Amino-2-{(S)-3-(1H-indol-3-yl)-2-[(1-naphtha...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C39H51N5O4/c1-26(32-23-41-33-16-8-7-15-31(32)33)35(37(46)42-34(17-9-10-20-40)38(47)48-39(2,3)4)43-36(45)30-14-11-21-44(25-30)24-27-18-19-28-12-5-6-13-29(28)22-27/h5-8,12-13,15-16,18-19,22-23,26,30,34-35,41H,9-11,14,17,20-21,24-25,40H2,1-4H3,(H,42,46)(H,43,45)/t26-,30?,34-,35?/m0/s1
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17n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075284
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)
Show SMILES C[C@H]([C@@H](N1CCN(CCCc2ccccc2)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,22.23,wD:25.27,1.0,(-.51,3.82,;-.49,2.28,;.85,1.51,;2.17,2.29,;2.15,3.82,;4.83,3.84,;4.84,2.3,;6.18,1.55,;7.49,2.32,;8.85,1.56,;10.17,2.35,;10.15,3.89,;11.47,4.66,;12.83,3.91,;12.83,2.36,;11.51,1.58,;3.51,1.53,;3.52,-.01,;.85,-.02,;2.39,-.03,;.07,-1.35,;.82,-2.69,;.05,-4.01,;.82,-5.35,;.03,-6.68,;-1.52,-6.67,;-2.3,-7.98,;-2.26,-5.33,;-1.48,-4,;-1.82,1.49,;-1.81,-.03,;-3.14,-.82,;-4.47,-.05,;-5.81,-.82,;-7.14,-.05,;-7.14,1.49,;-5.81,2.26,;-4.47,1.49,)|
Show InChI InChI=1S/C29H37N5O4/c1-20(24-16-31-25-12-6-5-11-23(24)25)27(28(35)32-17-26-37-18-22(30)19-38-26)34-15-14-33(29(34)36)13-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,16,20,22,26-27,31H,7,10,13-15,17-19,30H2,1H3,(H,32,35)/t20-,22-,26-,27+/m0/s1
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18n/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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096815
PNG
((S)-6-Amino-2-[(S)-2-[(1-biphenyl-2-ylmethyl-piper...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C41H53N5O4/c1-28(34-25-43-35-21-11-10-20-33(34)35)37(39(48)44-36(22-12-13-23-42)40(49)50-41(2,3)4)45-38(47)31-18-14-24-46(27-31)26-30-17-8-9-19-32(30)29-15-6-5-7-16-29/h5-11,15-17,19-21,25,28,31,36-37,43H,12-14,18,22-24,26-27,42H2,1-4H3,(H,44,48)(H,45,47)/t28-,31?,36-,37?/m0/s1
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21n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096813
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(3-meth...)
Show SMILES CC(C)CC(=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/C33H51N5O5/c1-21(2)18-28(39)38-17-11-12-23(20-38)30(40)37-29(22(3)25-19-35-26-14-8-7-13-24(25)26)31(41)36-27(15-9-10-16-34)32(42)43-33(4,5)6/h7-8,13-14,19,21-23,27,29,35H,9-12,15-18,20,34H2,1-6H3,(H,36,41)(H,37,40)/t22-,23?,27-,29?/m0/s1
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23n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096808
PNG
((S)-6-Amino-2-[(S)-2-{[1-(3,4-dimethoxy-benzenesul...)
Show SMILES COc1ccc(cc1OC)S(=O)(=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/C36H51N5O8S/c1-23(27-21-38-28-14-8-7-13-26(27)28)32(34(43)39-29(15-9-10-18-37)35(44)49-36(2,3)4)40-33(42)24-12-11-19-41(22-24)50(45,46)25-16-17-30(47-5)31(20-25)48-6/h7-8,13-14,16-17,20-21,23-24,29,32,38H,9-12,15,18-19,22,37H2,1-6H3,(H,39,43)(H,40,42)/t23-,24?,29-,32?/m0/s1
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23n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096805
PNG
((S)-6-Amino-2-[(S)-2-[(1-benzhydryl-piperidine-3-c...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C41H53N5O4/c1-28(33-26-43-34-22-12-11-21-32(33)34)36(39(48)44-35(23-13-14-24-42)40(49)50-41(2,3)4)45-38(47)31-20-15-25-46(27-31)37(29-16-7-5-8-17-29)30-18-9-6-10-19-30/h5-12,16-19,21-22,26,28,31,35-37,43H,13-15,20,23-25,27,42H2,1-4H3,(H,44,48)(H,45,47)/t28-,31?,35-,36?/m0/s1
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31n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096828
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(propan...)
Show SMILES CC(C)S(=O)(=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/C31H49N5O6S/c1-20(2)43(40,41)36-17-11-12-22(19-36)28(37)35-27(21(3)24-18-33-25-14-8-7-13-23(24)25)29(38)34-26(15-9-10-16-32)30(39)42-31(4,5)6/h7-8,13-14,18,20-22,26-27,33H,9-12,15-17,19,32H2,1-6H3,(H,34,38)(H,35,37)/t21-,22?,26-,27?/m0/s1
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35n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50096814
PNG
((S)-6-Amino-2-[(S)-2-{[1-(benzo[1,3]dioxole-5-carb...)
Show SMILES C[C@H](C(NC(=O)C1CCCN(C1)C(=O)c1ccc2OCOc2c1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H47N5O7/c1-22(26-19-38-27-12-6-5-11-25(26)27)31(33(43)39-28(13-7-8-16-37)35(45)48-36(2,3)4)40-32(42)24-10-9-17-41(20-24)34(44)23-14-15-29-30(18-23)47-21-46-29/h5-6,11-12,14-15,18-19,22,24,28,31,38H,7-10,13,16-17,20-21,37H2,1-4H3,(H,39,43)(H,40,42)/t22-,24?,28-,31?/m0/s1
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36n/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)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50075285
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)
Show SMILES C[C@H]([C@@H](N1CCN(CCCn2c3ccccc3[nH]c2=O)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,26.28,wD:29.32,1.0,(-1.63,3.05,;-1.61,1.51,;-.27,.75,;1.05,1.53,;1.03,3.07,;3.71,3.08,;3.72,1.54,;5.06,.79,;6.38,1.56,;7.73,.81,;9.05,1.58,;9.19,3.12,;8.15,4.25,;8.62,5.71,;10.13,6.06,;11.18,4.92,;10.69,3.45,;11.48,2.12,;10.46,.97,;10.79,-.54,;2.39,.76,;2.4,-.78,;-.27,-.78,;1.27,-.79,;-1.05,-2.11,;-.3,-3.45,;-1.07,-4.77,;-.3,-6.12,;-1.09,-7.45,;-2.64,-7.43,;-3.42,-8.76,;-3.38,-6.09,;-2.61,-4.77,;-2.94,.74,;-2.93,-.8,;-4.26,-1.59,;-5.59,-.82,;-6.93,-1.59,;-8.26,-.82,;-8.26,.72,;-6.93,1.51,;-5.59,.74,)|
Show InChI InChI=1S/C30H37N7O5/c1-19(22-15-32-23-8-3-2-7-21(22)23)27(28(38)33-16-26-41-17-20(31)18-42-26)37-14-13-35(30(37)40)11-6-12-36-25-10-5-4-9-24(25)34-29(36)39/h2-5,7-10,15,19-20,26-27,32H,6,11-14,16-18,31H2,1H3,(H,33,38)(H,34,39)/t19-,20-,26-,27+/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
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