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Compile Data Set for Download or QSAR

Found 1649 hits with Last Name = 'jain' and Initial = 'r'   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50178975
PNG
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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0.0600n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1


J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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0.370n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1


J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyrotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50196446
PNG
(CHEMBL224730 | [N tau(1)-Me-His]-TRH)
Show SMILES C[n+]1c[nH]cc1C[C@H](N)C(=O)N1[C@@H](CCC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C23H31N9O5/c1-30-12-27-10-14(30)8-15(24)22(36)32-18(4-5-19(32)33)21(35)29-16(7-13-9-26-11-28-13)23(37)31-6-2-3-17(31)20(25)34/h9-12,15-18H,2-8,24H2,1H3,(H4,25,26,28,29,34,35)/p+1/t15-,16-,17-,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50173826
PNG
(1-[(S)-2-Amino-3-(3-methyl-3H-imidazol-4-yl)-propi...)
Show SMILES Cn1cncc1C[C@H](N)C(=O)N1[C@@H](CCC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C23H31N9O5/c1-30-12-27-10-14(30)8-15(24)22(36)32-18(4-5-19(32)33)21(35)29-16(7-13-9-26-11-28-13)23(37)31-6-2-3-17(31)20(25)34/h9-12,15-18H,2-8,24H2,1H3,(H2,25,34)(H,26,28)(H,29,35)/t15-,16-,17-,18-/m0/s1
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3n/an/an/an/an/an/a7.4n/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degee C for 1 hr at pH 7.4 us...


J Med Chem 48: 6162-5 (2005)


Article DOI: 10.1021/jm0505462
BindingDB Entry DOI: 10.7270/Q2PK0FQG
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50196451
PNG
((2S)-1-{(2S)-3-(1-methyl-1H-4-imidazolyl)-2-[(2S)-...)
Show SMILES Cn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C18H26N6O4/c1-23-9-11(20-10-23)8-13(18(28)24-7-3-5-14(24)16(19)26)22-17(27)12-4-2-6-15(25)21-12/h9-10,12-14H,2-8H2,1H3,(H2,19,26)(H,21,25)(H,22,27)/t12-,13-,14-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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7.18n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRalpha1


J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
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10n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR2


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
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10n/an/an/an/an/an/a7.4n/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory constant against thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells upon incubation at 37 degee C for 1 hr at pH 7.4 us...


J Med Chem 48: 6162-5 (2005)


Article DOI: 10.1021/jm0505462
BindingDB Entry DOI: 10.7270/Q2PK0FQG
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077282
PNG
(CHEMBL2311098 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C58H68ClN11O10S2/c1-32(71)50-58(80)69-49(56(78)65-45(51(62)73)27-35-13-18-36-8-2-3-9-37(36)24-35)31-82-81-30-48(68-52(74)42(61)25-33-14-19-39(59)20-15-33)57(79)66-46(26-34-16-21-40(72)22-17-34)54(76)67-47(28-38-29-63-43-11-5-4-10-41(38)43)55(77)64-44(53(75)70-50)12-6-7-23-60/h2-5,8-11,13-22,24,29,32,42,44-50,63,71-72H,6-7,12,23,25-28,30-31,60-61H2,1H3,(H2,62,73)(H,64,77)(H,65,78)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,75)/t32-,42+,44+,45+,46+,47-,48-,49+,50+/m1/s1
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12n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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12n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196451
PNG
((2S)-1-{(2S)-3-(1-methyl-1H-4-imidazolyl)-2-[(2S)-...)
Show SMILES Cn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C18H26N6O4/c1-23-9-11(20-10-23)8-13(18(28)24-7-3-5-14(24)16(19)26)22-17(27)12-4-2-6-15(25)21-12/h9-10,12-14H,2-8H2,1H3,(H2,19,26)(H,21,25)(H,22,27)/t12-,13-,14-/m0/s1
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13n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR2


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077269
PNG
(CHEMBL385746 | H-Cpa-cyclo[DCys-2Pal-DTrp-Lys-Thr-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)26-34-16-19-35-10-2-3-11-36(35)24-34)31-81-80-30-47(68-51(73)41(60)25-33-17-20-38(58)21-18-33)56(78)67-46(28-39-12-7-9-23-62-39)54(76)66-45(27-37-29-63-42-14-5-4-13-40(37)42)53(75)64-43(52(74)70-49)15-6-8-22-59/h2-5,7,9-14,16-21,23-24,29,32,41,43-49,63,71H,6,8,15,22,25-28,30-31,59-60H2,1H3,(H2,61,72)(H,64,75)(H,65,77)(H,66,76)(H,67,78)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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14n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


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



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077301
PNG
(10-(4-Amino-butyl)-19-(2-amino-3,3-diphenyl-propio...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(N)=O)NC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C67H77N11O9S2/c1-40(2)58-67(87)76-54(65(85)78-59(60(70)80)56(44-23-11-5-12-24-44)45-25-13-6-14-26-45)39-89-88-38-53(75-66(86)57(69)55(42-19-7-3-8-20-42)43-21-9-4-10-22-43)64(84)73-51(35-41-30-32-47(79)33-31-41)62(82)74-52(36-46-37-71-49-28-16-15-27-48(46)49)63(83)72-50(61(81)77-58)29-17-18-34-68/h3-16,19-28,30-33,37,40,50-59,71,79H,17-18,29,34-36,38-39,68-69H2,1-2H3,(H2,70,80)(H,72,83)(H,73,84)(H,74,82)(H,75,86)(H,76,87)(H,77,81)(H,78,85)/t50-,51-,52+,53-,54-,57-,58-,59-/m0/s1
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16n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077285
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-iodo-phenyl)-p...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(I)cc1
Show InChI InChI=1S/C54H66I2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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18n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077288
PNG
(CHEMBL2372956 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCCS1
Show InChI InChI=1S/C58H72Cl2N12O8S3/c1-33(50-12-7-23-81-50)24-45-54(76)72-49(57(79)67-44(51(63)73)26-35-15-19-39(60)20-16-35)32-83-82-31-48(71-52(74)41(62)25-34-13-17-38(59)18-14-34)58(80)69-46(27-36-8-6-22-64-29-36)55(77)70-47(28-37-30-65-42-10-3-2-9-40(37)42)56(78)66-43(53(75)68-45)11-4-5-21-61/h2-3,6,8-10,13-20,22,29-30,33,41,43-50,65H,4-5,7,11-12,21,23-28,31-32,61-62H2,1H3,(H2,63,73)(H,66,78)(H,67,79)(H,68,75)(H,69,80)(H,70,77)(H,71,74)(H,72,76)/t33-,41+,43-,44+,45-,46-,47+,48+,49-,50?/m0/s1
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19n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
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20n/an/an/an/an/an/a7.4n/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degee C for 1 hr at pH 7.4 us...


J Med Chem 48: 6162-5 (2005)


Article DOI: 10.1021/jm0505462
BindingDB Entry DOI: 10.7270/Q2PK0FQG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077305
PNG
(CHEMBL407195 | H-Fpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C54H66F2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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20n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
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20n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077290
PNG
(CHEMBL437220 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C58H69ClN12O8S2/c1-33(2)50-58(79)70-49(56(77)66-45(51(62)72)26-35-16-19-37-11-3-4-12-38(37)24-35)32-81-80-31-48(69-52(73)42(61)25-34-17-20-40(59)21-18-34)57(78)67-46(27-36-10-9-23-63-29-36)54(75)68-47(28-39-30-64-43-14-6-5-13-41(39)43)55(76)65-44(53(74)71-50)15-7-8-22-60/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,64H,7-8,15,22,25-28,31-32,60-61H2,1-2H3,(H2,62,72)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,73)(H,70,79)(H,71,74)/t42-,44-,45-,46-,47+,48-,49+,50+/m0/s1
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25n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077279
PNG
(CHEMBL2372964 | H-Fpa-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(F)cc1)C1CCCS1
Show InChI InChI=1S/C62H75FN12O8S3/c1-36(54-16-9-25-84-54)26-49-58(79)75-53(61(82)70-48(55(66)76)29-38-17-20-40-11-2-3-12-41(40)27-38)35-86-85-34-52(74-56(77)45(65)28-37-18-21-43(63)22-19-37)62(83)72-50(30-39-10-8-24-67-32-39)59(80)73-51(31-42-33-68-46-14-5-4-13-44(42)46)60(81)69-47(57(78)71-49)15-6-7-23-64/h2-5,8,10-14,17-22,24,27,32-33,36,45,47-54,68H,6-7,9,15-16,23,25-26,28-31,34-35,64-65H2,1H3,(H2,66,76)(H,69,81)(H,70,82)(H,71,78)(H,72,83)(H,73,80)(H,74,77)(H,75,79)/t36-,45+,47-,48-,49-,50-,51+,52+,53-,54?/m0/s1
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26n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077278
PNG
(CHEMBL407496 | H-Fpa-cyclo[DCys-His-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-12-16-33(54)17-13-30)26-77-76-25-42(65-46(69)36(56)19-29-10-14-32(53)15-11-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-8-4-3-7-35(31)37)48(71)61-38(47(70)67-44)9-5-6-18-55/h3-4,7-8,10-17,23-24,27-28,36,38-44,59H,5-6,9,18-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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31n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077285
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-iodo-phenyl)-p...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(I)cc1
Show InChI InChI=1S/C54H66I2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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32n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077283
PNG
(CHEMBL439136 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C54H66Cl2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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32n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM50077281
PNG
(CHEMBL438726 | H-Pfp-cyclo[DCys-D2Pal-DTrp-Lys-Val...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O)NC(=O)[C@@H](N)Cc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C54H58F10N12O8S2/c1-22(2)46-54(84)75-35(52(82)71-31(47(67)77)18-27-38(57)42(61)45(64)43(62)39(27)58)21-86-85-20-34(74-48(78)28(66)17-26-36(55)40(59)44(63)41(60)37(26)56)53(83)73-33(16-24-9-6-8-14-68-24)51(81)72-32(15-23-19-69-29-11-4-3-10-25(23)29)50(80)70-30(49(79)76-46)12-5-7-13-65/h3-4,6,8-11,14,19,22,28,30-35,46,69H,5,7,12-13,15-18,20-21,65-66H2,1-2H3,(H2,67,77)(H,70,80)(H,71,82)(H,72,81)(H,73,83)(H,74,78)(H,75,84)(H,76,79)/t28-,30-,31-,32+,33+,34-,35+,46+/m0/s1
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34n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


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


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
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34n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR2


Bioorg Med Chem 15: 433-43 (2006)


Article DOI: 10.1016/j.bmc.2006.09.045
BindingDB Entry DOI: 10.7270/Q2ZW1KJV
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077296
PNG
(CHEMBL2372961 | H-Nal-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)C1CCCS1
Show InChI InChI=1S/C62H75ClN12O8S3/c1-36(54-16-9-25-84-54)26-49-58(79)75-53(61(82)70-48(55(66)76)29-38-17-20-40-11-2-3-12-41(40)27-38)35-86-85-34-52(74-56(77)45(65)28-37-18-21-43(63)22-19-37)62(83)72-50(30-39-10-8-24-67-32-39)59(80)73-51(31-42-33-68-46-14-5-4-13-44(42)46)60(81)69-47(57(78)71-49)15-6-7-23-64/h2-5,8,10-14,17-22,24,27,32-33,36,45,47-54,68H,6-7,9,15-16,23,25-26,28-31,34-35,64-65H2,1H3,(H2,66,76)(H,69,81)(H,70,82)(H,71,78)(H,72,83)(H,73,80)(H,74,77)(H,75,79)/t36-,45-,47-,48-,49-,50-,51+,52+,53-,54?/m0/s1
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35n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50455549
PNG
(CHEMBL2372960)
Show SMILES CC(C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C1CCCS1
Show InChI InChI=1S/C66H78N12O8S3/c1-39(58-20-11-27-87-58)28-53-62(82)78-57(65(85)73-52(59(69)79)32-41-22-24-44-14-3-5-16-46(44)30-41)38-89-88-37-56(77-60(80)49(68)31-40-21-23-43-13-2-4-15-45(43)29-40)66(86)75-54(33-42-12-10-26-70-35-42)63(83)76-55(34-47-36-71-50-18-7-6-17-48(47)50)64(84)72-51(61(81)74-53)19-8-9-25-67/h2-7,10,12-18,21-24,26,29-30,35-36,39,49,51-58,71H,8-9,11,19-20,25,27-28,31-34,37-38,67-68H2,1H3,(H2,69,79)(H,72,84)(H,73,85)(H,74,81)(H,75,86)(H,76,83)(H,77,80)(H,78,82)/t39?,49-,51-,52-,53-,54-,55+,56+,57-,58?/m0/s1
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35n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077297
PNG
(CHEMBL415201 | H-Fpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C58H69FN12O8S2/c1-33(2)50-58(79)70-49(56(77)66-45(51(62)72)26-35-16-19-37-11-3-4-12-38(37)24-35)32-81-80-31-48(69-52(73)42(61)25-34-17-20-40(59)21-18-34)57(78)67-46(27-36-10-9-23-63-29-36)54(75)68-47(28-39-30-64-43-14-6-5-13-41(39)43)55(76)65-44(53(74)71-50)15-7-8-22-60/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,64H,7-8,15,22,25-28,31-32,60-61H2,1-2H3,(H2,62,72)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,73)(H,70,79)(H,71,74)/t42-,44-,45-,46-,47+,48-,49+,50+/m0/s1
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35n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM50077295
PNG
(CHEMBL406491 | H-2Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1F)C(N)=O)NC(=O)[C@@H](N)Cc1ccccc1F
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-12-4-7-15-35(30)54)26-77-76-25-42(65-46(69)36(56)19-29-11-3-6-14-34(29)53)51(74)64-41(22-32-24-58-27-60-32)49(72)63-40(21-31-23-59-37-16-8-5-13-33(31)37)48(71)61-38(47(70)67-44)17-9-10-18-55/h3-8,11-16,23-24,27-28,36,38-44,59H,9-10,17-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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37n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


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


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077293
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-naphthalen-2-yl-p...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C64H74N12O8S2/c1-38(2)55-64(84)74-53(63(83)76-56(57(67)77)54(42-18-5-3-6-19-42)43-20-7-4-8-21-43)37-86-85-36-52(73-58(78)47(66)31-39-26-27-41-17-9-10-22-44(41)30-39)62(82)71-50(32-40-16-15-29-68-34-40)60(80)72-51(33-45-35-69-48-24-12-11-23-46(45)48)61(81)70-49(59(79)75-55)25-13-14-28-65/h3-12,15-24,26-27,29-30,34-35,38,47,49-56,69H,13-14,25,28,31-33,36-37,65-66H2,1-2H3,(H2,67,77)(H,70,81)(H,71,82)(H,72,80)(H,73,78)(H,74,84)(H,75,79)(H,76,83)/t47-,49-,50-,51+,52-,53+,55+,56-/m0/s1
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37n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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38n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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47n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50077285
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-iodo-phenyl)-p...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(I)cc1
Show InChI InChI=1S/C54H66I2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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48n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 5


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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51n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077283
PNG
(CHEMBL439136 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C54H66Cl2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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51n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077269
PNG
(CHEMBL385746 | H-Cpa-cyclo[DCys-2Pal-DTrp-Lys-Thr-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)26-34-16-19-35-10-2-3-11-36(35)24-34)31-81-80-30-47(68-51(73)41(60)25-33-17-20-38(58)21-18-33)56(78)67-46(28-39-12-7-9-23-62-39)54(76)66-45(27-37-29-63-42-14-5-4-13-40(37)42)53(75)64-43(52(74)70-49)15-6-8-22-59/h2-5,7,9-14,16-21,23-24,29,32,41,43-49,63,71H,6,8,15,22,25-28,30-31,59-60H2,1H3,(H2,61,72)(H,64,75)(H,65,77)(H,66,76)(H,67,78)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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53n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077284
PNG
(CHEMBL2372957 | H-DCpa-cyclo[DCys-Pal-DTrp-Lys-Tle...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)C1CCCS1
Show InChI InChI=1S/C58H72Cl2N12O8S3/c1-33(50-12-7-23-81-50)24-45-54(76)72-49(57(79)67-44(51(63)73)26-35-15-19-39(60)20-16-35)32-83-82-31-48(71-52(74)41(62)25-34-13-17-38(59)18-14-34)58(80)69-46(27-36-8-6-22-64-29-36)55(77)70-47(28-37-30-65-42-10-3-2-9-40(37)42)56(78)66-43(53(75)68-45)11-4-5-21-61/h2-3,6,8-10,13-20,22,29-30,33,41,43-50,65H,4-5,7,11-12,21,23-28,31-32,61-62H2,1H3,(H2,63,73)(H,66,78)(H,67,79)(H,68,75)(H,69,80)(H,70,77)(H,71,74)(H,72,76)/t33-,41-,43-,44-,45-,46-,47+,48+,49-,50?/m0/s1
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56n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


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



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077288
PNG
(CHEMBL2372956 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCCS1
Show InChI InChI=1S/C58H72Cl2N12O8S3/c1-33(50-12-7-23-81-50)24-45-54(76)72-49(57(79)67-44(51(63)73)26-35-15-19-39(60)20-16-35)32-83-82-31-48(71-52(74)41(62)25-34-13-17-38(59)18-14-34)58(80)69-46(27-36-8-6-22-64-29-36)55(77)70-47(28-37-30-65-42-10-3-2-9-40(37)42)56(78)66-43(53(75)68-45)11-4-5-21-61/h2-3,6,8-10,13-20,22,29-30,33,41,43-50,65H,4-5,7,11-12,21,23-28,31-32,61-62H2,1H3,(H2,63,73)(H,66,78)(H,67,79)(H,68,75)(H,69,80)(H,70,77)(H,71,74)(H,72,76)/t33-,41+,43-,44+,45-,46-,47+,48+,49-,50?/m0/s1
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58n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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60n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


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


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


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



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 5


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077267
PNG
(CHEMBL385689 | H-Nal-cyclo[DCys-Pal-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C58H69FN12O8S2/c1-33(2)50-58(79)70-49(56(77)66-45(51(62)72)26-34-17-20-40(59)21-18-34)32-81-80-31-48(69-52(73)42(61)25-35-16-19-37-11-3-4-12-38(37)24-35)57(78)67-46(27-36-10-9-23-63-29-36)54(75)68-47(28-39-30-64-43-14-6-5-13-41(39)43)55(76)65-44(53(74)71-50)15-7-8-22-60/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,64H,7-8,15,22,25-28,31-32,60-61H2,1-2H3,(H2,62,72)(H,65,76)(H,66,77)(H,67,78)(H,68,75)(H,69,73)(H,70,79)(H,71,74)/t42-,44-,45-,46-,47+,48-,49+,50+/m0/s1
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69n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM50077304
PNG
(CHEMBL414598 | H-Pfp-cyclo[DCys-His-DTrp-Lys-Val-C...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O)NC(=O)[C@@H](N)Cc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C52H57F10N13O8S2/c1-20(2)44-52(83)74-33(50(81)70-29(45(65)76)14-25-36(55)40(59)43(62)41(60)37(25)56)18-85-84-17-32(73-46(77)26(64)13-24-34(53)38(57)42(61)39(58)35(24)54)51(82)72-31(12-22-16-66-19-68-22)49(80)71-30(11-21-15-67-27-8-4-3-7-23(21)27)48(79)69-28(47(78)75-44)9-5-6-10-63/h3-4,7-8,15-16,19-20,26,28-33,44,67H,5-6,9-14,17-18,63-64H2,1-2H3,(H2,65,76)(H,66,68)(H,69,79)(H,70,81)(H,71,80)(H,72,82)(H,73,77)(H,74,83)(H,75,78)/t26-,28-,29-,30+,31-,32-,33-,44+/m0/s1
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69n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


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


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50077269
PNG
(CHEMBL385746 | H-Cpa-cyclo[DCys-2Pal-DTrp-Lys-Thr-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)26-34-16-19-35-10-2-3-11-36(35)24-34)31-81-80-30-47(68-51(73)41(60)25-33-17-20-38(58)21-18-33)56(78)67-46(28-39-12-7-9-23-62-39)54(76)66-45(27-37-29-63-42-14-5-4-13-40(37)42)53(75)64-43(52(74)70-49)15-6-8-22-59/h2-5,7,9-14,16-21,23-24,29,32,41,43-49,63,71H,6,8,15,22,25-28,30-31,59-60H2,1H3,(H2,61,72)(H,64,75)(H,65,77)(H,66,76)(H,67,78)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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70n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 5


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077270
PNG
(CHEMBL406738 | H-Nal-cyclo[DCys-Pal-DTrp-Lys-Nle-C...)
Show SMILES CC(C)CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C64H76N12O8S2/c1-38(2)20-25-51-60(80)76-56(63(83)72-52(57(67)77)31-40-22-24-43-14-4-6-16-45(43)29-40)37-86-85-36-55(75-58(78)48(66)30-39-21-23-42-13-3-5-15-44(42)28-39)64(84)73-53(32-41-12-11-27-68-34-41)61(81)74-54(33-46-35-69-49-18-8-7-17-47(46)49)62(82)70-50(59(79)71-51)19-9-10-26-65/h3-8,11-18,21-24,27-29,34-35,38,48,50-56,69H,9-10,19-20,25-26,30-33,36-37,65-66H2,1-2H3,(H2,67,77)(H,70,82)(H,71,79)(H,72,83)(H,73,84)(H,74,81)(H,75,78)(H,76,80)/t48-,50-,51-,52-,53-,54+,55-,56-/m0/s1
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76n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


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



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


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


(Homo sapiens (Human))
BDBM50077266
PNG
(CHEMBL406152 | H-3Fpa-cyclo[DCys-Pal-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C54H66F2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-11-8-14-36(56)21-32)29-78-77-28-44(66-48(70)38(58)22-31-10-7-13-35(55)20-31)53(75)64-42(24-33-12-9-19-60-26-33)50(72)65-43(25-34-27-61-39-16-4-3-15-37(34)39)51(73)62-40(49(71)68-46)17-5-6-18-57/h3-4,7-16,19-21,26-27,30,38,40-46,61H,5-6,17-18,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
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82n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


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


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077268
PNG
(CHEMBL2372962 | H-Trp-cyclo[DCys-Pal-DTrp-Lys-Tle-...)
Show SMILES C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)CS1=CCCC1
Show InChI InChI=1S/C65H79N13O8S3/c1-39(38-89-25-10-11-26-89)27-53-61(82)78-57(64(85)73-52(58(68)79)29-40-21-22-42-14-2-3-15-43(42)28-40)37-88-87-36-56(77-59(80)48(67)31-44-34-70-49-18-6-4-16-46(44)49)65(86)75-54(30-41-13-12-24-69-33-41)62(83)76-55(32-45-35-71-50-19-7-5-17-47(45)50)63(84)72-51(60(81)74-53)20-8-9-23-66/h2-7,12-19,21-22,24-25,28,33-35,39,48,51-57,70-71H,8-11,20,23,26-27,29-32,36-38,66-67H2,1H3,(H2,68,79)(H,72,84)(H,73,85)(H,74,81)(H,75,86)(H,76,83)(H,77,80)(H,78,82)/t39-,48-,51-,52-,53-,54-,55+,56+,57-,89?/m0/s1
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84n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


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