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Compile Data Set for Download or QSAR

Found 583 hits Enz. Inhib. hit(s) with all data for entry = 2710   
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 1


(Homo sapiens (Human))
BDBM50474223
PNG
(CHEMBL3349514)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O
Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)83-64(101)47(27-40-17-7-5-8-18-40)82-60(97)37(2)78-63(100)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,102)(H,81,105)(H,82,97)(H,83,101)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37-,38+,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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126n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 1 (sst1) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells


J Med Chem 46: 2334-44 (2003)


Article DOI: 10.1021/jm021093t
BindingDB Entry DOI: 10.7270/Q2CR5X31
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50169462
PNG
(4-{3-[2-(7-Methyl-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12
Show InChI InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3
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130n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst1 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82471
PNG
(c[Aha-Phe-D-Trp-Lys-Thr(Bzl)] | cycloantagonist SA)
Show SMILES C[C@@H](Oc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O
Show InChI InChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
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141n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82471
PNG
(c[Aha-Phe-D-Trp-Lys-Thr(Bzl)] | cycloantagonist SA)
Show SMILES C[C@@H](Oc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O
Show InChI InChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
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141n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1007/BF00173012
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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142n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82461
PNG
(BIM 23073 | D-Phe-AIa-Tyr-D-Trp-Lys-Val-Ala-D-Nal-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C59H73N11O9/c1-34(2)51(59(79)65-36(4)53(73)67-48(52(62)72)31-39-21-24-40-16-8-9-17-41(40)28-39)70-56(76)47(20-12-13-27-60)66-58(78)50(32-42-33-63-46-19-11-10-18-44(42)46)69-57(77)49(30-38-22-25-43(71)26-23-38)68-54(74)35(3)64-55(75)45(61)29-37-14-6-5-7-15-37/h5-11,14-19,21-26,28,33-36,45,47-51,63,71H,12-13,20,27,29-32,60-61H2,1-4H3,(H2,62,72)(H,64,75)(H,65,79)(H,66,78)(H,67,73)(H,68,74)(H,69,77)(H,70,76)/t35-,36-,45+,47-,48+,49-,50+,51-/m0/s1
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145n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1007/BF00173012
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82461
PNG
(BIM 23073 | D-Phe-AIa-Tyr-D-Trp-Lys-Val-Ala-D-Nal-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C59H73N11O9/c1-34(2)51(59(79)65-36(4)53(73)67-48(52(62)72)31-39-21-24-40-16-8-9-17-41(40)28-39)70-56(76)47(20-12-13-27-60)66-58(78)50(32-42-33-63-46-19-11-10-18-44(42)46)69-57(77)49(30-38-22-25-43(71)26-23-38)68-54(74)35(3)64-55(75)45(61)29-37-14-6-5-7-15-37/h5-11,14-19,21-26,28,33-36,45,47-51,63,71H,12-13,20,27,29-32,60-61H2,1-4H3,(H2,62,72)(H,64,75)(H,65,79)(H,66,78)(H,67,73)(H,68,74)(H,69,77)(H,70,76)/t35-,36-,45+,47-,48+,49-,50+,51-/m0/s1
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146n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM85230
PNG
(BIM 23313)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O9S2/c1-32(66)46(54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(31-76)47(57)67)65-49(69)40(23-13-14-24-55)59-53(73)44(28-36-29-58-39-22-12-11-21-37(36)39)62-51(71)42(26-34-17-7-3-8-18-34)61-50(70)41(60-48(68)38(56)30-75)25-33-15-5-2-6-16-33/h2-12,15-22,29,32,38,40-46,58,66,75-76H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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151n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




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


Article DOI: 10.1007/bfb0000613
BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50474224
PNG
(CHEMBL3349523)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1
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158n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 1 (sst1) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells


J Med Chem 46: 2334-44 (2003)


Article DOI: 10.1021/jm021093t
BindingDB Entry DOI: 10.7270/Q2CR5X31
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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158n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1007/BF00173012
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82471
PNG
(c[Aha-Phe-D-Trp-Lys-Thr(Bzl)] | cycloantagonist SA)
Show SMILES C[C@@H](Oc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O
Show InChI InChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
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158n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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158n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd

Curated by PDSP Ki Database




Metab Clin Exp 45: 17-20 (1996)


Article DOI: 10.1016/s0026-0495(96)90072-4
BindingDB Entry DOI: 10.7270/Q2WQ02B7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82471
PNG
(c[Aha-Phe-D-Trp-Lys-Thr(Bzl)] | cycloantagonist SA)
Show SMILES C[C@@H](Oc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O
Show InChI InChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
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158n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)


Article DOI: 10.1007/pl00005197
BindingDB Entry DOI: 10.7270/Q25H7DTQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144752
PNG
(US8952128, 11)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NCC[S@](=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
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US Patent
160 -38.8n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077287
PNG
(CHEMBL275806 | H-Nal-cyclo[DCys-Pal-DTrp-Lys-Ile-C...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C63H73N11O9S2/c1-3-37(2)55-62(81)73-54(61(80)71-52(63(82)83)30-39-22-24-42-15-5-7-17-44(42)28-39)36-85-84-35-53(72-56(75)47(65)29-38-21-23-41-14-4-6-16-43(41)27-38)60(79)69-50(31-40-13-12-26-66-33-40)58(77)70-51(32-45-34-67-48-19-9-8-18-46(45)48)59(78)68-49(57(76)74-55)20-10-11-25-64/h4-9,12-19,21-24,26-28,33-34,37,47,49-55,67H,3,10-11,20,25,29-32,35-36,64-65H2,1-2H3,(H,68,78)(H,69,79)(H,70,77)(H,71,80)(H,72,75)(H,73,81)(H,74,76)(H,82,83)/t37-,47-,49-,50-,51+,52-,53-,54-,55-/m0/s1
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174n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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178n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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180n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst1 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84642
PNG
(SA IV | c[Ahx-Phe-D-Trp-Lys-Thr(Bzl)])
Show SMILES CC(OCc1ccccc1)C1NC(=O)C(CCCCCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCN)NC1=O
Show InChI InChI=1S/C44H58N8O6/c1-29(58-28-31-17-8-5-9-18-31)39-44(57)49-36(22-14-24-46)40(53)51-38(26-32-27-47-34-20-12-11-19-33(32)34)43(56)50-37(25-30-15-6-4-7-16-30)42(55)48-35(41(54)52-39)21-10-2-3-13-23-45/h4-9,11-12,15-20,27,29,35-39,47H,2-3,10,13-14,21-26,28,45-46H2,1H3,(H,48,55)(H,49,57)(H,50,56)(H,51,53)(H,52,54)
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183n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077307
PNG
(CHEMBL438281 | H-2Fpa-cyclo[DCys-Pal-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1F)C(N)=O)NC(=O)[C@@H](N)Cc1ccccc1F
Show InChI InChI=1S/C54H66F2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)24-33-14-4-7-17-37(33)56)29-78-77-28-44(66-48(70)38(58)23-32-13-3-6-16-36(32)55)53(75)64-42(22-31-12-11-21-60-26-31)50(72)65-43(25-34-27-61-39-18-8-5-15-35(34)39)51(73)62-40(49(71)68-46)19-9-10-20-57/h3-8,11-18,21,26-27,30,38,40-46,61H,9-10,19-20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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186n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50136767
PNG
(2-[4-(5,7-Difluoro-2-phenyl-1H-indol-3-yl)-butyryl...)
Show SMILES COC(=O)C(CCCNC(N)=N)NC(=O)CCCc1c([nH]c2c(F)cc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)
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199n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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219n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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219n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)


Article DOI: 10.1007/pl00005197
BindingDB Entry DOI: 10.7270/Q25H7DTQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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224n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)


Article DOI: 10.1007/pl00005197
BindingDB Entry DOI: 10.7270/Q25H7DTQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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224n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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224n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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230n/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))
BDBM50077276
PNG
(CHEMBL429166 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Tba-C...)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C60H73ClN12O8S2/c1-60(2,3)30-49-57(79)73-51(58(80)68-46(52(64)74)27-36-17-20-38-12-4-5-13-39(38)25-36)34-83-82-33-50(72-53(75)43(63)26-35-18-21-41(61)22-19-35)59(81)69-47(28-37-11-10-24-65-31-37)55(77)70-48(29-40-32-66-44-15-7-6-14-42(40)44)56(78)67-45(54(76)71-49)16-8-9-23-62/h4-7,10-15,17-22,24-25,31-32,43,45-51,66H,8-9,16,23,26-30,33-34,62-63H2,1-3H3,(H2,64,74)(H,67,78)(H,68,80)(H,69,81)(H,70,77)(H,71,76)(H,72,75)(H,73,79)/t43-,45-,46-,47-,48+,49-,50-,51-/m0/s1
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238n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84620
PNG
(DC23-60)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CO)C(C)O)NC(=O)C(N)Cc1cccc2ccccc12
Show InChI InChI=1S/C54H70N10O10S2/c1-30(2)47-54(74)63-46(53(73)61-44(27-65)31(3)66)29-76-75-28-45(62-48(68)39(56)24-34-13-10-12-33-11-4-5-14-37(33)34)52(72)59-42(23-32-18-20-36(67)21-19-32)50(70)60-43(25-35-26-57-40-16-7-6-15-38(35)40)51(71)58-41(49(69)64-47)17-8-9-22-55/h4-7,10-16,18-21,26,30-31,39,41-47,57,65-67H,8-9,17,22-25,27-29,55-56H2,1-3H3,(H,58,71)(H,59,72)(H,60,70)(H,61,73)(H,62,68)(H,63,74)(H,64,69)
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241n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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245n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)


Article DOI: 10.1007/pl00005197
BindingDB Entry DOI: 10.7270/Q25H7DTQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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245n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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251n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards human Somatostatin receptor type 1 (sst1) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells


J Med Chem 46: 2334-44 (2003)


Article DOI: 10.1021/jm021093t
BindingDB Entry DOI: 10.7270/Q2CR5X31
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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251n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd

Curated by PDSP Ki Database




Metab Clin Exp 45: 17-20 (1996)


Article DOI: 10.1016/s0026-0495(96)90072-4
BindingDB Entry DOI: 10.7270/Q2WQ02B7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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251n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077289
PNG
(10-(4-Amino-butyl)-19-(2-amino-2-indan-2-yl-acetyl...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(N)=O)NC(=O)[C@@H](N)C1Cc2ccccc2C1
Show InChI InChI=1S/C53H69N11O8S2/c1-28(2)44-53(72)62-42(51(70)64-45(46(56)65)35-22-32-14-6-7-15-33(32)23-35)27-74-73-26-41(61-52(71)43(55)34-20-30-12-4-5-13-31(30)21-34)50(69)58-29(3)47(66)60-40(24-36-25-57-38-17-9-8-16-37(36)38)49(68)59-39(48(67)63-44)18-10-11-19-54/h4-9,12-17,25,28-29,34-35,39-45,57H,10-11,18-24,26-27,54-55H2,1-3H3,(H2,56,65)(H,58,69)(H,59,68)(H,60,66)(H,61,71)(H,62,72)(H,63,67)(H,64,70)/t29-,39-,40+,41-,42-,43-,44-,45-/m0/s1
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252n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM523756
PNG
(US11136312, Compound MM-I-83)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
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264n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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275n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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290n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064027
PNG
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)
Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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300n/an/an/an/an/an/an/an/a



Institute for Research in Biomedicine (IRB Barcelona)

Curated by ChEMBL


Assay Description
Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 24: 103-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.065
BindingDB Entry DOI: 10.7270/Q24X5BR2
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM523801
PNG
(US11136312, Compound SK-I-128)
Show SMILES Fc1ccc(Sc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1
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315n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive radioligand binding experiments were performed using MEMBRANE TARGET Systems (Perkin-Elmer, Boston, Mass.) for human somatostatin recepto...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB851B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82471
PNG
(c[Aha-Phe-D-Trp-Lys-Thr(Bzl)] | cycloantagonist SA)
Show SMILES C[C@@H](Oc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O
Show InChI InChI=1S/C42H55N7O5/c1-29(54-32-18-8-5-9-19-32)38-42(53)45-25-15-3-2-14-24-44-36(26-30-16-6-4-7-17-30)40(51)48-37(27-31-28-46-34-21-11-10-20-33(31)34)41(52)47-35(39(50)49-38)22-12-13-23-43/h4-11,16-21,28-29,35-38,44,46H,2-3,12-15,22-27,43H2,1H3,(H,45,53)(H,47,52)(H,48,51)(H,49,50)/t29-,35+,36+,37-,38+/m1/s1
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331n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82256
PNG
(BIM 23056 | CAS_150155-61-6 | D-Phe-Phe-Tyr-D-Trp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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337n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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347n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84629
PNG
(BIM 23056)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-23-10-5-11-24-47)67(87)77-58(64(74)84)41-50-27-18-26-49-25-12-13-28-53(49)50)82-66(86)57(31-16-17-36-72)76-70(90)62(42-51-43-75-56-30-15-14-29-54(51)56)80-69(89)60(40-48-32-34-52(83)35-33-48)79-68(88)59(38-46-21-8-4-9-22-46)78-65(85)55(73)37-45-19-6-3-7-20-45/h3-15,18-30,32-35,43-44,55,57-63,75,83H,16-17,31,36-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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347n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)


Article DOI: 10.1007/pl00005197
BindingDB Entry DOI: 10.7270/Q25H7DTQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077306
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-naphthalen-2-yl-p...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C62H72N12O8S2/c1-36(2)54-62(82)73-53(60(80)69-49(55(65)75)29-38-21-23-41-14-4-6-16-43(41)27-38)35-84-83-34-52(72-56(76)46(64)28-37-20-22-40-13-3-5-15-42(40)26-37)61(81)70-50(30-39-12-11-25-66-32-39)58(78)71-51(31-44-33-67-47-18-8-7-17-45(44)47)59(79)68-48(57(77)74-54)19-9-10-24-63/h3-8,11-18,20-23,25-27,32-33,36,46,48-54,67H,9-10,19,24,28-31,34-35,63-64H2,1-2H3,(H2,65,75)(H,68,79)(H,69,80)(H,70,81)(H,71,78)(H,72,76)(H,73,82)(H,74,77)/t46-,48-,49-,50-,51+,52-,53+,54+/m0/s1
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348n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM523766
PNG
(US11136312, Compound SK-I-57)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c2c1
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365n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive radioligand binding experiments were performed using MEMBRANE TARGET Systems (Perkin-Elmer, Boston, Mass.) for human somatostatin recepto...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB851B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM523766
PNG
(US11136312, Compound SK-I-57)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c2c1
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365n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077294
PNG
(CHEMBL437448 | H-Bpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Br)cc1
Show InChI InChI=1S/C54H66Br2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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374n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84628
PNG
(EC5-21)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O8S2/c1-34(67)49-56(74)65-47(51(69)60-30-38-21-14-20-37-19-8-9-22-40(37)38)32-75-76-33-48(64-50(68)42(58)27-35-15-4-2-5-16-35)55(73)62-45(28-36-17-6-3-7-18-36)53(71)63-46(29-39-31-59-43-24-11-10-23-41(39)43)54(72)61-44(52(70)66-49)25-12-13-26-57/h2-11,14-24,31,34,42,44-49,59,67H,12-13,25-30,32-33,57-58H2,1H3,(H,60,69)(H,61,72)(H,62,73)(H,63,71)(H,64,68)(H,65,74)(H,66,70)
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382n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(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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389n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
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