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Compile Data Set for Download or QSAR

Found 27 hits of kd data for polymerid = 6827   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 1.20n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


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


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50423465
PNG
(ERGOLINE)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m1/s1
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n/an/an/a 1.70n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


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


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


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


Article DOI: 10.1016/j.bmcl.2007.04.086
BindingDB Entry DOI: 10.7270/Q2XP7675
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098612
PNG
(10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 316n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098603
PNG
(10-(4-Amino-butyl)-19-[(2-amino-3-phenyl-propionyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-26-72-73-27-40(61(3)50(71)34(52)22-30-14-6-4-7-15-30)48(69)57-37(23-31-16-8-5-9-17-31)45(66)56-38(24-32-25-54-35-19-11-10-18-33(32)35)46(67)55-36(20-12-13-21-51)44(65)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,69)(H,58,70)(H,59,68)(H,60,65)/t28-,29-,34-,36+,37+,38+,39+,40-,41+,42+/m1/s1
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n/an/an/a 378n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50423458
PNG
(CHEMBL252232)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m0/s1
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n/an/an/a 501n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


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


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098617
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](N(C)C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41-49(71)59-40(50(72)61(3)42(28(2)63)43(53)65)26-74-73-25-39(58-44(66)34(52)21-30-16-18-32(64)19-17-30)48(70)56-37(22-29-11-5-4-6-12-29)46(68)57-38(23-31-24-54-35-14-8-7-13-33(31)35)47(69)55-36(45(67)60-41)15-9-10-20-51/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,71)(H,60,67)/t27-,28-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 611n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098614
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-49(70)40-27-73-72-26-39(58-44(65)34(52)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-35-19-11-10-18-33(32)35)47(68)55-36(20-12-13-21-51)45(66)60-42(29(2)63)50(71)61(40)3/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,68)(H,56,69)(H,57,67)(H,58,65)(H,59,70)(H,60,66)/t28-,29-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 622n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098606
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)38-25-73-74-26-39(58-44(66)34(52)21-30-16-18-32(64)19-17-30)50(72)61(3)40(22-29-11-5-4-6-12-29)48(70)56-37(23-31-24-54-35-14-8-7-13-33(31)35)46(68)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)57-38/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,68)(H,56,70)(H,57,71)(H,58,66)(H,59,69)(H,60,67)/t27-,28-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 653n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098619
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S2/c1-27(61)40(42(52)63)59-48(69)39-26-72-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35+,36+,37+,38-,39+,40+,41+/m1/s1
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n/an/an/a 761n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098613
PNG
(10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(52)65)60-49(71)40-26-74-73-25-39(58-45(67)36(53-3)21-30-16-18-32(64)19-17-30)48(70)56-37(22-29-11-5-4-6-12-29)46(68)57-38(23-31-24-54-34-14-8-7-13-33(31)34)47(69)55-35(15-9-10-20-51)44(66)61-42(28(2)63)50(72)59-40/h4-8,11-14,16-19,24,27-28,35-42,53-54,62-64H,9-10,15,20-23,25-26,51H2,1-3H3,(H2,52,65)(H,55,69)(H,56,70)(H,57,68)(H,58,67)(H,59,72)(H,60,71)(H,61,66)/t27-,28-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 811n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098604
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-25-73-74-26-40(61(3)50(72)34(52)21-30-16-18-32(64)19-17-30)48(70)57-37(22-29-11-5-4-6-12-29)45(67)56-38(23-31-24-54-35-14-8-7-13-33(31)35)46(68)55-36(15-9-10-20-51)44(66)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,68)(H,56,67)(H,57,70)(H,58,71)(H,59,69)(H,60,66)/t27-,28-,34-,36+,37+,38+,39+,40-,41+,42+/m1/s1
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n/an/an/a 862n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098616
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/an/a 867n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098607
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)55-36(22-29-11-5-4-6-12-29)45(67)56-37(23-31-24-54-35-14-8-7-13-33(31)35)50(72)61(3)40(15-9-10-20-51)48(70)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,68)(H,56,67)(H,57,66)(H,58,71)(H,59,69)(H,60,70)/t27-,28-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/an/a 956n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098611
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098609
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](N(C)C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41-49(70)59-40(50(71)61(3)42(29(2)63)43(53)64)27-73-72-26-39(58-44(65)34(52)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-35-19-11-10-18-33(32)35)47(68)55-36(45(66)60-41)20-12-13-21-51/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,68)(H,56,69)(H,57,67)(H,58,65)(H,59,70)(H,60,66)/t28-,29-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098605
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)60-48(70)40-26-74-73-25-39(58-44(66)34(52)21-30-16-18-32(64)19-17-30)47(69)56-37(22-29-11-5-4-6-12-29)45(67)57-38(23-31-24-54-35-14-8-7-13-33(31)35)46(68)55-36(15-9-10-20-51)50(72)61(3)42(28(2)63)49(71)59-40/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)/t27-,28-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098608
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)38-26-72-73-27-39(58-44(65)34(52)22-30-14-6-4-7-15-30)50(71)61(3)40(23-31-16-8-5-9-17-31)48(69)56-37(24-32-25-54-35-19-11-10-18-33(32)35)46(67)55-36(20-12-13-21-51)45(66)60-42(29(2)63)49(70)57-38/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,69)(H,57,70)(H,58,65)(H,59,68)(H,60,66)/t28-,29-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098618
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O11S2/c1-26(61)40(42(52)64)59-48(70)39-25-73-72-24-38(57-43(65)33(51)20-29-15-17-31(63)18-16-29)47(69)55-36(21-28-10-4-3-5-11-28)45(67)56-37(22-30-23-53-34-13-7-6-12-32(30)34)46(68)54-35(14-8-9-19-50)44(66)60-41(27(2)62)49(71)58-39/h3-7,10-13,15-18,23,26-27,33,35-41,53,61-63H,8-9,14,19-22,24-25,50-51H2,1-2H3,(H2,52,64)(H,54,68)(H,55,69)(H,56,67)(H,57,65)(H,58,71)(H,59,70)(H,60,66)/t26-,27-,33-,35+,36+,37+,38-,39+,40+,41+/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098602
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)60-48(69)40-27-73-72-26-39(58-44(65)34(52)22-30-14-6-4-7-15-30)47(68)56-37(23-31-16-8-5-9-17-31)45(66)57-38(24-32-25-54-35-19-11-10-18-33(32)35)46(67)55-36(20-12-13-21-51)50(71)61(3)42(29(2)63)49(70)59-40/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,68)(H,57,66)(H,58,65)(H,59,70)(H,60,69)/t28-,29-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098615
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)56-37(23-31-16-8-5-9-17-31)50(71)61(3)40(24-32-25-54-35-19-11-10-18-33(32)35)48(69)55-36(20-12-13-21-51)45(66)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,69)(H,56,67)(H,57,65)(H,58,70)(H,59,68)(H,60,66)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50098610
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O
Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-49(71)40-26-74-73-25-39(58-44(66)34(52)21-30-16-18-32(64)19-17-30)48(70)56-37(22-29-11-5-4-6-12-29)46(68)57-38(23-31-24-54-35-14-8-7-13-33(31)35)47(69)55-36(15-9-10-20-51)45(67)60-42(28(2)63)50(72)61(40)3/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,71)(H,60,67)/t27-,28-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
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n/an/an/a 1.26E+3n/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)


J Med Chem 44: 1416-21 (2001)


Article DOI: 10.1021/jm000361p
BindingDB Entry DOI: 10.7270/Q2M044QS
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 1.95E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


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


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
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n/an/an/a 3.55E+3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
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n/an/an/a 4.57E+3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/an/a 7.08E+3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
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UniChem

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PubMed
n/an/an/a 1.32E+4n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair