Found 100 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | PDB
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| PC cid
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PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | PDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165166
(CHEMBL441920 | Radiolabeled octreotide derivative)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165182
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47-,48-,49?,58-/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165163
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47+,48-,49?,58-/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370285
(CHEMBL1907758)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C137H207N41O39S3/c1-69(153-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)155-114(195)88(46-54-218-7)158-110(191)71(3)154-129(210)100-42-28-53-178(100)134(215)95(62-104(144)186)171-126(207)96(65-180)172-124(205)93(60-102(142)184)165-111(192)70(2)152-112(193)80(141)64-179)109(190)151-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(59-79-58-78-35-17-18-36-81(78)156-79)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(61-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,58,69-74,80,82-101,107-108,156,179-183H,19-28,37-57,59-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,151,190)(H,152,193)(H,153,194)(H,154,210)(H,155,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73-,74-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=7) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50370285
(CHEMBL1907758)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C137H207N41O39S3/c1-69(153-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)155-114(195)88(46-54-218-7)158-110(191)71(3)154-129(210)100-42-28-53-178(100)134(215)95(62-104(144)186)171-126(207)96(65-180)172-124(205)93(60-102(142)184)165-111(192)70(2)152-112(193)80(141)64-179)109(190)151-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(59-79-58-78-35-17-18-36-81(78)156-79)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(61-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,58,69-74,80,82-101,107-108,156,179-183H,19-28,37-57,59-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,151,190)(H,152,193)(H,153,194)(H,154,210)(H,155,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73-,74-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1 | Reactome pathway
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370285
(CHEMBL1907758)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C137H207N41O39S3/c1-69(153-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)155-114(195)88(46-54-218-7)158-110(191)71(3)154-129(210)100-42-28-53-178(100)134(215)95(62-104(144)186)171-126(207)96(65-180)172-124(205)93(60-102(142)184)165-111(192)70(2)152-112(193)80(141)64-179)109(190)151-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(59-79-58-78-35-17-18-36-81(78)156-79)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(61-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,58,69-74,80,82-101,107-108,156,179-183H,19-28,37-57,59-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,151,190)(H,152,193)(H,153,194)(H,154,210)(H,155,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73-,74-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165176
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50370285
(CHEMBL1907758)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C137H207N41O39S3/c1-69(153-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)155-114(195)88(46-54-218-7)158-110(191)71(3)154-129(210)100-42-28-53-178(100)134(215)95(62-104(144)186)171-126(207)96(65-180)172-124(205)93(60-102(142)184)165-111(192)70(2)152-112(193)80(141)64-179)109(190)151-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(59-79-58-78-35-17-18-36-81(78)156-79)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(61-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,58,69-74,80,82-101,107-108,156,179-183H,19-28,37-57,59-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,151,190)(H,152,193)(H,153,194)(H,154,210)(H,155,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73-,74-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50370285
(CHEMBL1907758)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O Show InChI InChI=1S/C137H207N41O39S3/c1-69(153-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)155-114(195)88(46-54-218-7)158-110(191)71(3)154-129(210)100-42-28-53-178(100)134(215)95(62-104(144)186)171-126(207)96(65-180)172-124(205)93(60-102(142)184)165-111(192)70(2)152-112(193)80(141)64-179)109(190)151-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(59-79-58-78-35-17-18-36-81(78)156-79)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(61-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,58,69-74,80,82-101,107-108,156,179-183H,19-28,37-57,59-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,151,190)(H,152,193)(H,153,194)(H,154,210)(H,155,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73-,74-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165176
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165171
(CHEMBL408350 | Edotreotide | Radiolabeled octreoti...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | Reactome pathway
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| PC cid
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 243 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165163
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47+,48-,49?,58-/m0/s1 | Reactome pathway
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165176
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1 | Reactome pathway
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| PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=2) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165176
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1 | PDB
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PubMed
| n/a | n/a | 346 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=2) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165163
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47+,48-,49?,58-/m0/s1 | PDB
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| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | Reactome pathway
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| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
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| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
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| n/a | n/a | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165171
(CHEMBL408350 | Edotreotide | Radiolabeled octreoti...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
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| n/a | n/a | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165163
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47+,48-,49?,58-/m0/s1 | Reactome pathway
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165182
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47-,48-,49?,58-/m0/s1 | Reactome pathway
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| n/a | n/a | 413 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165166
(CHEMBL441920 | Radiolabeled octreotide derivative)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165182
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47-,48-,49?,58-/m0/s1 | PDB
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| n/a | n/a | 482 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165182
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47-,48-,49?,58-/m0/s1 | Reactome pathway
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| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | Reactome pathway
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| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | PDB
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| n/a | n/a | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50165166
(CHEMBL441920 | Radiolabeled octreotide derivative)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
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| n/a | n/a | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
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| n/a | n/a | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=7) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | PDB
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| n/a | n/a | 729 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | Reactome pathway
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| n/a | n/a | 757 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | PDB
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| n/a | n/a | 797 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 823 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | PDB
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| n/a | n/a | 823 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165171
(CHEMBL408350 | Edotreotide | Radiolabeled octreoti...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | Reactome pathway
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| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=4) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165166
(CHEMBL441920 | Radiolabeled octreotide derivative)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165171
(CHEMBL408350 | Edotreotide | Radiolabeled octreoti...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165182
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47-,48-,49?,58-/m0/s1 | KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | Reactome pathway
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165163
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C58H77IN10O18S3/c1-28(71)45-56(84)67-41(55(83)69-46(29(2)72)57(85)86)27-90-89-26-40(66-51(79)37(21-30-10-4-3-5-11-30)62-44(74)17-19-88-58-49(77)48(76)47(75)43(25-70)87-58)54(82)64-38(22-31-15-16-42(73)34(59)20-31)52(80)65-39(23-32-24-61-35-13-7-6-12-33(32)35)53(81)63-36(50(78)68-45)14-8-9-18-60/h3-7,10-13,15-16,20,24,28-29,36-41,43,45-49,58,61,70-73,75-77H,8-9,14,17-19,21-23,25-27,60H2,1-2H3,(H,62,74)(H,63,81)(H,64,82)(H,65,80)(H,66,79)(H,67,84)(H,68,78)(H,69,83)(H,85,86)/p+1/t28?,29?,36-,37?,38-,39+,40?,41-,43?,45-,46-,47+,48-,49?,58-/m0/s1 | KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
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CHEMBL
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165176
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1 | KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against somatostatin receptor type 1 expressed in CHO-K1 cells using [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 as ... |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | KEGG
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=5) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | Reactome pathway
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CHEMBL
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PC cid
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UniChem
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | PDB
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| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | KEGG
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CHEMBL
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=4) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165164
(CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=6) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165171
(CHEMBL408350 | Edotreotide | Radiolabeled octreoti...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=7) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165166
(CHEMBL441920 | Radiolabeled octreotide derivative)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50165161
(CHEMBL386768 | CHEMBL413647 | Radiolabeled octreot...)Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 Show InChI InChI=1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | KEGG
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165173
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C58H79IN10O17S3/c1-29(72)41(25-70)66-56(84)43-28-89-88-27-42(67-52(80)38(21-31-10-4-3-5-11-31)62-46(75)17-19-87-58-50(78)49(77)48(76)45(26-71)86-58)55(83)64-39(22-32-15-16-44(74)35(59)20-32)53(81)65-40(23-33-24-61-36-13-7-6-12-34(33)36)54(82)63-37(14-8-9-18-60)51(79)69-47(30(2)73)57(85)68-43/h3-7,10-13,15-16,20,24,29-30,37-43,45,47-50,58,61,70-74,76-78H,8-9,14,17-19,21-23,25-28,60H2,1-2H3,(H,62,75)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,80)(H,68,85)(H,69,79)/p+1/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,47-,48+,49-,50?,58-/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165180
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165174
(4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.01 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165160
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165168
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C55H73IN10O17S2/c1-27(67)43-53(79)64-40(52(78)66-44(28(2)68)54(80)81)25-85-84-24-39(63-48(74)36(19-29-10-4-3-5-11-29)59-26-55(82)46(72)45(71)42(70)23-83-55)51(77)61-37(20-30-15-16-41(69)33(56)18-30)49(75)62-38(21-31-22-58-34-13-7-6-12-32(31)34)50(76)60-35(47(73)65-43)14-8-9-17-57/h3-7,10-13,15-16,18,22,27-28,35-40,42-46,58-59,67-72,82H,8-9,14,17,19-21,23-26,57H2,1-2H3,(H,60,76)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,73)(H,66,78)(H,80,81)/p+2/t27?,28?,35-,36?,37-,38+,39?,40-,42?,43-,44-,45+,46?,55?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165172
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/p+2/t26?,27?,33?,35-,36-,37+,38+,39?,40-,42-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165159
(4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.13 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165167
(4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...)Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1 | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165177
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C55H75IN10O16S2/c1-28(68)40(23-67)63-53(79)42-26-84-83-25-41(64-49(75)37(19-30-10-4-3-5-11-30)59-27-55(81)47(73)46(72)44(71)24-82-55)52(78)61-38(20-31-15-16-43(70)34(56)18-31)50(76)62-39(21-32-22-58-35-13-7-6-12-33(32)35)51(77)60-36(14-8-9-17-57)48(74)66-45(29(2)69)54(80)65-42/h3-7,10-13,15-16,18,22,28-29,36-42,44-47,58-59,67-73,81H,8-9,14,17,19-21,23-27,57H2,1-2H3,(H,60,77)(H,61,78)(H,62,76)(H,63,79)(H,64,75)(H,65,80)(H,66,74)/p+2/t28?,29?,36-,37?,38-,39+,40+,41?,42-,44?,45-,46+,47?,55?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.43 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50165185
(4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...)Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCS[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C58H79IN10O17S3/c1-29(72)41(25-70)66-56(84)43-28-89-88-27-42(67-52(80)38(21-31-10-4-3-5-11-31)62-46(75)17-19-87-58-50(78)49(77)48(76)45(26-71)86-58)55(83)64-39(22-32-15-16-44(74)35(59)20-32)53(81)65-40(23-33-24-61-36-13-7-6-12-34(33)36)54(82)63-37(14-8-9-18-60)51(79)69-47(30(2)73)57(85)68-43/h3-7,10-13,15-16,20,24,29-30,37-43,45,47-50,58,61,70-74,76-78H,8-9,14,17-19,21-23,25-28,60H2,1-2H3,(H,62,75)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,80)(H,68,85)(H,69,79)/p+1/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,47-,48-,49-,50?,58-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.62 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3) |
J Med Chem 48: 2778-89 (2005)
Article DOI: 10.1021/jm040794i
BindingDB Entry DOI: 10.7270/Q26T0ND0 |
More data for this
Ligand-Target Pair | |
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