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Compile Data Set for Download or QSAR

Found 255 hits Enz. Inhib. hit(s) with Target = 'TRH'   
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
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM50050531
PNG
(1-[3-(1-methyl-4-imidazolyl)-2-[2-oxo-(5S)-dihydro...)
Show SMILES Cn1cnc(C[C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C17H24N6O4/c1-22-8-10(19-9-22)7-12(21-16(26)11-4-5-14(24)20-11)17(27)23-6-2-3-13(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,20,24)(H,21,26)/t11-,12+,13+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells


J Med Chem 39: 1571-4 (1996)


Article DOI: 10.1021/jm960053k
BindingDB Entry DOI: 10.7270/Q2H70GGR
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
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)
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
Thyrotropin-releasing hormone receptor


(MOUSE)
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



Washington University

Curated by ChEMBL


Assay Description
Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells


J Med Chem 39: 1571-4 (1996)


Article DOI: 10.1021/jm960053k
BindingDB Entry DOI: 10.7270/Q2H70GGR
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
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
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM86214
PNG
(CAS_32281 | NSC_32281 | Phe2TRH | TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=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)
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
TRHR


(Xenopus)
BDBM86214
PNG
(CAS_32281 | NSC_32281 | Phe2TRH | TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=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)
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17n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
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
Thyrotropin-releasing hormone receptor


(Homo sapiens)
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
Thyrotropin-releasing hormone receptor


(MOUSE)
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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23n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Ability to bind thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells.


Bioorg Med Chem Lett 8: 3093-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00567-8
BindingDB Entry DOI: 10.7270/Q21R6PP1
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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42n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50173828
PNG
(1-[2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxami...)
Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C19H28N6O4/c1-2-4-15-21-10-11(22-15)9-13(24-18(28)12-6-7-16(26)23-12)19(29)25-8-3-5-14(25)17(20)27/h10,12-14H,2-9H2,1H3,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1
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320n/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)
BDBM50196445
PNG
((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...)
Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-2-5-16-22-11-12(23-16)10-14(20(30)26-9-4-7-15(26)18(21)28)25-19(29)13-6-3-8-17(27)24-13/h11,13-15H,2-10H2,1H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1
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400n/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


(MOUSE)
BDBM50050532
PNG
(1-[2-[2-oxo-(5S)-dihydro-2H-5-pyrrolylcarboxamido]...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C19H24N4O4/c20-17(25)15-7-4-10-23(15)19(27)14(11-12-5-2-1-3-6-12)22-18(26)13-8-9-16(24)21-13/h1-3,5-6,13-15H,4,7-11H2,(H2,20,25)(H,21,24)(H,22,26)/t13-,14-,15-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells


J Med Chem 39: 1571-4 (1996)


Article DOI: 10.1021/jm960053k
BindingDB Entry DOI: 10.7270/Q2H70GGR
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM50072396
PNG
(7-cyclohexyl-6-(2,6-dioxo-1,7-diazaspiro[4.4]non-7...)
Show SMILES NC(=O)[C@@H]1CC[C@H]2CC(C3CCCCC3)=C(N3CC[C@]4(CCC(=O)N4)C3=O)C(=O)N12
Show InChI InChI=1S/C22H30N4O4/c23-19(28)16-7-6-14-12-15(13-4-2-1-3-5-13)18(20(29)26(14)16)25-11-10-22(21(25)30)9-8-17(27)24-22/h13-14,16H,1-12H2,(H2,23,28)(H,24,27)/t14-,16-,22+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Ability to activate thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells prelabelled with myo-[3H] inositol


Bioorg Med Chem Lett 8: 3093-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00567-8
BindingDB Entry DOI: 10.7270/Q21R6PP1
More data for this
Ligand-Target Pair
TRHR


(Xenopus)
BDBM86217
PNG
(Desaza1TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)C1
Show InChI InChI=1S/C17H23N5O4/c18-15(24)14-2-1-5-22(14)17(26)13(7-11-8-19-9-20-11)21-16(25)10-3-4-12(23)6-10/h8-10,13-14H,1-7H2,(H2,18,24)(H,19,20)(H,21,25)
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3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM50050529
PNG
((S)-1-[2-((5R,7R)-2,6-Dioxo-1,7-diaza-spiro[4.4]no...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)C(Cc1ccccc1)N1CC[C@]2(CCC(=O)N2)C1=O
Show InChI InChI=1S/C21H26N4O4/c22-18(27)15-7-4-11-24(15)19(28)16(13-14-5-2-1-3-6-14)25-12-10-21(20(25)29)9-8-17(26)23-21/h1-3,5-6,15-16H,4,7-13H2,(H2,22,27)(H,23,26)/t15-,16?,21+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells


J Med Chem 39: 1571-4 (1996)


Article DOI: 10.1021/jm960053k
BindingDB Entry DOI: 10.7270/Q2H70GGR
More data for this
Ligand-Target Pair
TRHR


(Xenopus)
BDBM86214
PNG
(CAS_32281 | NSC_32281 | Phe2TRH | TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=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)
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4.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM86214
PNG
(CAS_32281 | NSC_32281 | Phe2TRH | TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=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)
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5.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM50072395
PNG
(1-[3-cyclohexyl-2-(5-oxotetrahydro-1H-2-pyrrolylca...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C19H30N4O4/c20-17(25)15-7-4-10-23(15)19(27)14(11-12-5-2-1-3-6-12)22-18(26)13-8-9-16(24)21-13/h12-15H,1-11H2,(H2,20,25)(H,21,24)(H,22,26)/t13-,14-,15-/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Ability to bind thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells.


Bioorg Med Chem Lett 8: 3093-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00567-8
BindingDB Entry DOI: 10.7270/Q21R6PP1
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
BDBM50196449
PNG
((2S)-1-{(2S)-3-(1-allyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(CC=C)cn1)NC(=O)[C@@H]1CCCC(=O)N1
Show InChI InChI=1S/C20H28N6O4/c1-2-8-25-11-13(22-12-25)10-15(20(30)26-9-4-6-16(26)18(21)28)24-19(29)14-5-3-7-17(27)23-14/h2,11-12,14-16H,1,3-10H2,(H2,21,28)(H,23,27)(H,24,29)/t14-,15-,16-/m0/s1
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7.50E+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)
BDBM50156183
PNG
(3-carbamoyl-1-{6-(2-carbamoyl-pyrrolidin-1-yl)-6-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CCCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50156182
PNG
(3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50156181
PNG
(3-carbamoyl-1-{3-(2-carbamoyl-pyrrolidin-1-yl)-3-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(C[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C19H24N6O5/c20-16(27)11-3-1-7-24(9-11)10-13(23-18(29)12-5-6-15(26)22-12)19(30)25-8-2-4-14(25)17(21)28/h1,3,7,9,12-14H,2,4-6,8,10H2,(H5-,20,21,22,23,26,27,28,29)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50156179
PNG
(3-carbamoyl-1-{4-(2-carbamoyl-pyrrolidin-1-yl)-4-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C20H26N6O5/c21-17(28)12-3-1-8-25(11-12)10-7-14(24-19(30)13-5-6-16(27)23-13)20(31)26-9-2-4-15(26)18(22)29/h1,3,8,11,13-15H,2,4-7,9-10H2,(H5-,21,22,23,24,27,28,29,30)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on TRH receptor using [3H]- MeTRH as radioligand.


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
TRHR


(Xenopus)
BDBM86215
PNG
(Pyr3TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)C1
Show InChI InChI=1S/C17H23N5O4/c18-15(24)14-2-1-5-22(14)17(26)13(7-11-8-19-9-20-11)21-16(25)10-3-4-12(23)6-10/h8-10,13-14H,1-7H2,(H2,18,24)(H,19,20)(H,21,25)/t10-,13?,14?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM86215
PNG
(Pyr3TRH)
Show SMILES NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)C1
Show InChI InChI=1S/C17H23N5O4/c18-15(24)14-2-1-5-22(14)17(26)13(7-11-8-19-9-20-11)21-16(25)10-3-4-12(23)6-10/h8-10,13-14H,1-7H2,(H2,18,24)(H,19,20)(H,21,25)/t10-,13?,14?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Endocrinology 144: 1842-6 (2003)


Article DOI: 10.1210/en.2002-221074
BindingDB Entry DOI: 10.7270/Q2736PGN
More data for this
Ligand-Target Pair
TRH


(HUMAN)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Duphar B.V.

Curated by PDSP Ki Database




Drug Metabol Drug Interact 8: 85-114 (1990)


BindingDB Entry DOI: 10.7270/Q27M06DV
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50231569
PNG
(CILANSETRON | Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity was measured on TRH receptor using [3H]- MeTRH as radioligand.


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM81819
PNG
(Benzamil | CAS_1937-37-7 | CHEMBL212579 | NSC_1081...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1
Show InChI InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(MOUSE)
BDBM50072397
PNG
(7-cyclohexyl-6-(2,6-dioxo-1,7-diazaspiro[4.4]non-7...)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CC(C3CCCCC3)=C(N3CC[C@]4(CCC(=O)N4)C3=O)C(=O)N12
Show InChI InChI=1S/C22H30N4O4/c23-19(28)16-7-6-14-12-15(13-4-2-1-3-5-13)18(20(29)26(14)16)25-11-10-22(21(25)30)9-8-17(27)24-22/h13-14,16H,1-12H2,(H2,23,28)(H,24,27)/t14-,16+,22-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Ability to bind thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells.


Bioorg Med Chem Lett 8: 3093-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00567-8
BindingDB Entry DOI: 10.7270/Q21R6PP1
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
BDBM50196459
PNG
((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H32N6O4/c1-21(2,3)20-23-11-12(24-20)10-14(19(31)27-9-5-7-15(27)17(22)29)26-18(30)13-6-4-8-16(28)25-13/h11,13-15H,4-10H2,1-3H3,(H2,22,29)(H,23,24)(H,25,28)(H,26,30)/t13-,14-,15-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196448
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H29N5O4/c1-2-4-17-22-11-13(23-17)10-15(24-19(28)12-6-7-14(26)9-12)20(29)25-8-3-5-16(25)18(21)27/h11-12,15-16H,2-10H2,1H3,(H2,21,27)(H,22,23)(H,24,28)/t12-,15+,16+/m1/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196454
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18+,19+/m1/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196447
PNG
((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCCC(=O)N1
Show InChI InChI=1S/C23H34N6O4/c24-20(31)18-9-5-11-29(18)23(33)17(28-22(32)16-8-4-10-19(30)27-16)12-15-13-25-21(26-15)14-6-2-1-3-7-14/h13-14,16-18H,1-12H2,(H2,24,31)(H,25,26)(H,27,30)(H,28,32)/t16-,17-,18-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196460
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H29N5O4/c1-2-4-17-22-11-13(23-17)10-15(24-19(28)12-6-7-14(26)9-12)20(29)25-8-3-5-16(25)18(21)27/h11-12,15-16H,2-10H2,1H3,(H2,21,27)(H,22,23)(H,24,28)/t12-,15-,16-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196452
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196450
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H29N5O4/c1-11(2)18-22-10-13(23-18)9-15(24-19(28)12-5-6-14(26)8-12)20(29)25-7-3-4-16(25)17(21)27/h10-12,15-16H,3-9H2,1-2H3,(H2,21,27)(H,22,23)(H,24,28)/t12-,15+,16+/m1/s1
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>1.00E+5n/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)
BDBM50173827
PNG
(1-[3-(2-cyclopropyl-1H-4-imidazolyl)-2-[5-oxo-(2S)...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C19H26N6O4/c20-16(27)14-2-1-7-25(14)19(29)13(24-18(28)12-5-6-15(26)23-12)8-11-9-21-17(22-11)10-3-4-10/h9-10,12-14H,1-8H2,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1
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>1.00E+5n/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


(Rattus norvegicus)
BDBM50173825
PNG
(1-[3-(2-isopropyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-t...)
Show SMILES CC(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C19H28N6O4/c1-10(2)17-21-9-11(22-17)8-13(24-18(28)12-5-6-15(26)23-12)19(29)25-7-3-4-14(25)16(20)27/h9-10,12-14H,3-8H2,1-2H3,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1
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>1.00E+5n/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)
BDBM50196461
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196456
PNG
((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...)
Show SMILES CC(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-11(2)18-22-10-12(23-18)9-14(20(30)26-8-4-6-15(26)17(21)28)25-19(29)13-5-3-7-16(27)24-13/h10-11,13-15H,3-9H2,1-2H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196458
PNG
((2S)-1-{(2S)-3-(1-benzyl-1H-4-imidazolyl)-2-[(2S)-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H]1CCCC(=O)N1
Show InChI InChI=1S/C24H30N6O4/c25-22(32)20-9-5-11-30(20)24(34)19(28-23(33)18-8-4-10-21(31)27-18)12-17-14-29(15-26-17)13-16-6-2-1-3-7-16/h1-3,6-7,14-15,18-20H,4-5,8-13H2,(H2,25,32)(H,27,31)(H,28,33)/t18-,19-,20-/m0/s1
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>1.00E+5n/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


(Homo sapiens)
BDBM50196453
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15-,16-/m0/s1
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>1.00E+5n/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
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