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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'cyr' and Initial = 'je'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 1/2/3/4/5


(RAT)
BDBM50476140
PNG
(CHEMBL373632)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCS)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C44H56N8O8S/c1-26(53)38-43(59)50-36(23-27-10-4-3-5-11-27)44(60)52(2)37(19-21-61)42(58)49-34(22-28-15-17-30(54)18-16-28)40(56)48-35(24-29-25-46-32-13-7-6-12-31(29)32)41(57)47-33(39(55)51-38)14-8-9-20-45/h3-7,10-13,15-18,25-26,33-38,46,53-54,61H,8-9,14,19-24,45H2,1-2H3,(H,47,57)(H,48,56)(H,49,58)(H,50,59)(H,51,55)/t26-,33+,34+,35+,36+,37-,38+/m1/s1
PDB
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UniProtKB/SwissProt

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PC sid
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n/an/a 0.100n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476134
PNG
(CHEMBL437296)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C68H91N15O17S2/c1-36(85)56-65(96)78-51(29-38-11-5-4-6-12-38)67(98)83(3)54(64(95)77-49(28-40-18-22-43(87)23-19-40)60(91)76-50(30-41-31-72-46-14-8-7-13-44(41)46)62(93)74-47(59(90)81-56)15-9-10-25-69)24-26-102-35-55(88)73-32-45(71)58(89)75-48(27-39-16-20-42(70)21-17-39)61(92)80-53(34-101)63(94)82-57(37(2)86)66(97)79-52(33-84)68(99)100/h4-8,11-14,16-23,31,36-37,45,47-54,56-57,72,84-87,101H,9-10,15,24-30,32-35,69-71H2,1-3H3,(H,73,88)(H,74,93)(H,75,89)(H,76,91)(H,77,95)(H,78,96)(H,79,97)(H,80,92)(H,81,90)(H,82,94)(H,99,100)/t36-,37-,45+,47+,48+,49+,50+,51+,52+,53+,54-,56+,57+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476138
PNG
(CHEMBL376485)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C62H90N14O14S2/c1-35(78)49(32-77)73-59(87)50(33-91)74-55(83)44(17-9-11-24-63)68-54(82)42(65)31-67-52(81)34-92-26-23-51-60(88)71-46(27-38-19-21-40(80)22-20-38)57(85)70-47(29-39-30-66-43-16-8-7-15-41(39)43)58(86)69-45(18-10-12-25-64)56(84)75-53(36(2)79)61(89)72-48(62(90)76(51)3)28-37-13-5-4-6-14-37/h4-8,13-16,19-22,30,35-36,42,44-51,53,66,77-80,91H,9-12,17-18,23-29,31-34,63-65H2,1-3H3,(H,67,81)(H,68,82)(H,69,86)(H,70,85)(H,71,88)(H,72,89)(H,73,87)(H,74,83)(H,75,84)/t35-,36-,42+,44+,45+,46+,47+,48+,49-,50+,51-,53+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(RAT)
BDBM50476137
PNG
(CHEMBL222751)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCS)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C44H56N8O8S/c1-26(53)38-43(59)48-34(19-21-61)44(60)52(2)37(23-27-10-4-3-5-11-27)42(58)50-35(22-28-15-17-30(54)18-16-28)40(56)49-36(24-29-25-46-32-13-7-6-12-31(29)32)41(57)47-33(39(55)51-38)14-8-9-20-45/h3-7,10-13,15-18,25-26,33-38,46,53-54,61H,8-9,14,19-24,45H2,1-2H3,(H,47,57)(H,48,59)(H,49,56)(H,50,58)(H,51,55)/t26-,33+,34+,35+,36+,37-,38+/m1/s1
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476142
PNG
(CHEMBL376484)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C65H88N14O14S2/c1-36(81)52(33-80)76-62(90)53(34-94)77-60(88)48(27-39-16-20-42(67)21-17-39)72-57(85)45(68)32-70-55(84)35-95-26-24-54-63(91)74-49(28-40-18-22-43(83)23-19-40)59(87)73-50(30-41-31-69-46-14-8-7-13-44(41)46)61(89)71-47(15-9-10-25-66)58(86)78-56(37(2)82)64(92)75-51(65(93)79(54)3)29-38-11-5-4-6-12-38/h4-8,11-14,16-23,31,36-37,45,47-54,56,69,80-83,94H,9-10,15,24-30,32-35,66-68H2,1-3H3,(H,70,84)(H,71,89)(H,72,85)(H,73,87)(H,74,91)(H,75,92)(H,76,90)(H,77,88)(H,78,86)/t36-,37-,45+,47+,48+,49+,50+,51+,52-,53+,54-,56+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476141
PNG
(CHEMBL426548)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C65H86N14O15S2/c1-35(80)54-63(91)75-50(29-37-11-5-4-6-12-37)64(92)79(3)52(24-26-96-34-53(83)70-32-44(68)56(84)72-47(27-38-16-20-41(67)21-17-38)59(87)76-51(33-95)61(89)78-55(36(2)81)65(93)94)62(90)74-48(28-39-18-22-42(82)23-19-39)58(86)73-49(30-40-31-69-45-14-8-7-13-43(40)45)60(88)71-46(57(85)77-54)15-9-10-25-66/h4-8,11-14,16-23,31,35-36,44,46-52,54-55,69,80-82,95H,9-10,15,24-30,32-34,66-68H2,1-3H3,(H,70,83)(H,71,88)(H,72,84)(H,73,86)(H,74,90)(H,75,91)(H,76,87)(H,77,85)(H,78,89)(H,93,94)/t35-,36-,44+,46+,47+,48+,49+,50+,51+,52-,54+,55+/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(RAT)
BDBM50476135
PNG
(CHEMBL374316)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCS)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C45H58N8O7S/c1-27(2)39-44(59)51-37(24-28-11-5-4-6-12-28)45(60)53(3)38(20-22-61)43(58)50-35(23-29-16-18-31(54)19-17-29)41(56)49-36(25-30-26-47-33-14-8-7-13-32(30)33)42(57)48-34(40(55)52-39)15-9-10-21-46/h4-8,11-14,16-19,26-27,34-39,47,54,61H,9-10,15,20-25,46H2,1-3H3,(H,48,57)(H,49,56)(H,50,58)(H,51,59)(H,52,55)/t34-,35-,36-,37-,38+,39-/m0/s1
PDB
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UniChem
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n/an/a 0.700n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(RAT)
BDBM50476143
PNG
(CHEMBL376001)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCS)NC1=O
Show InChI InChI=1S/C45H58N8O7S/c1-27(2)39-44(59)49-35(20-22-61)45(60)53(3)38(24-28-11-5-4-6-12-28)43(58)51-36(23-29-16-18-31(54)19-17-29)41(56)50-37(25-30-26-47-33-14-8-7-13-32(30)33)42(57)48-34(40(55)52-39)15-9-10-21-46/h4-8,11-14,16-19,26-27,34-39,47,54,61H,9-10,15,20-25,46H2,1-3H3,(H,48,57)(H,49,59)(H,50,56)(H,51,58)(H,52,55)/t34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476136
PNG
(CHEMBL222699)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(N)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H77N13O14S2/c1-31(71)48(55(82)62-27-45(74)61-28-46(75)63-43(29-85)50(59)77)68-47(76)30-86-22-20-44-54(81)66-40(23-34-16-18-36(73)19-17-34)52(79)65-41(25-35-26-60-38-14-8-7-13-37(35)38)53(80)64-39(15-9-10-21-58)51(78)69-49(32(2)72)56(83)67-42(57(84)70(44)3)24-33-11-5-4-6-12-33/h4-8,11-14,16-19,26,31-32,39-44,48-49,60,71-73,85H,9-10,15,20-25,27-30,58H2,1-3H3,(H2,59,77)(H,61,74)(H,62,82)(H,63,75)(H,64,80)(H,65,79)(H,66,81)(H,67,83)(H,68,76)(H,69,78)/t31-,32-,39+,40+,41+,42+,43+,44-,48+,49+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(Homo sapiens (Human))
BDBM50476139
PNG
(CHEMBL268060)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C59H83N13O15S2/c1-32(75)45(28-73)68-56(84)47(30-88)70-55(83)46(29-74)69-51(79)39(61)27-63-49(78)31-89-22-20-48-57(85)66-42(23-35-16-18-37(77)19-17-35)53(81)65-43(25-36-26-62-40-14-8-7-13-38(36)40)54(82)64-41(15-9-10-21-60)52(80)71-50(33(2)76)58(86)67-44(59(87)72(48)3)24-34-11-5-4-6-12-34/h4-8,11-14,16-19,26,32-33,39,41-48,50,62,73-77,88H,9-10,15,20-25,27-31,60-61H2,1-3H3,(H,63,78)(H,64,82)(H,65,81)(H,66,85)(H,67,86)(H,68,84)(H,69,79)(H,70,83)(H,71,80)/t32-,33-,39+,41+,42+,43+,44+,45-,46+,47+,48-,50+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair
Somatostatin receptor type 1/2/3/4/5


(RAT)
BDBM50476144
PNG
(CHEMBL434761)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCS)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)[C@@H](C)O
Show InChI InChI=1S/C44H56N8O8S/c1-26(53)38-44(60)52(2)37(23-27-10-4-3-5-11-27)43(59)48-34(19-21-61)39(55)49-35(22-28-15-17-30(54)18-16-28)41(57)50-36(24-29-25-46-32-13-7-6-12-31(29)32)42(58)47-33(40(56)51-38)14-8-9-20-45/h3-7,10-13,15-18,25-26,33-38,46,53-54,61H,8-9,14,19-24,45H2,1-2H3,(H,47,58)(H,48,59)(H,49,55)(H,50,57)(H,51,56)/t26-,33+,34-,35+,36+,37+,38+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Diatide Research Laboaratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes


J Med Chem 50: 1354-64 (2007)


Article DOI: 10.1021/jm061290i
BindingDB Entry DOI: 10.7270/Q2KK9FK5
More data for this
Ligand-Target Pair