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6 similar compounds to monomer 50196451

Wt: 362.3
BDBM50072394
Purchase
Wt: 362.3
BDBM86214
Wt: 376.4
BDBM50050531
Wt: 416.4
BDBM50196449
Wt: 404.4
BDBM50196457
Wt: 702.8
BDBM50369817

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50072394,86214,50050531,50196449,50196457,50369817   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


Citation and Details
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


Citation and Details
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/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


Citation and Details
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/an/an/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...


Citation and Details
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


Citation and Details
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




Citation and Details
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




Citation and Details
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


Citation and Details
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/an/an/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...


Citation and Details
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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
thyrotropin-releasing hormone R2


(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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200n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
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




Citation and Details
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




Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
thyrotropin-releasing hormone R3


(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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9.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
thyrotropin-releasing hormone R2


(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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>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




Citation and Details
More data for this
Ligand-Target Pair
thyrotropin-releasing hormone R3


(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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>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




Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
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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2.10E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Mus musculus)
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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n/an/an/an/a 3.10n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as IP1 formation after 1 hr by ELISA


Eur J Med Chem 111: 72-83 (2016)

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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n/an/an/an/a 1n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as Ca2+ release by FLIPR assay


Eur J Med Chem 111: 72-83 (2016)

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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n/an/a 26n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-Me-His-TRH from mouse TRH-R1 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs


Eur J Med Chem 111: 72-83 (2016)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Mus musculus)
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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n/an/a 7n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-Me-His-TRH from mouse TRH-R2 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs


Eur J Med Chem 111: 72-83 (2016)

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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n/an/an/an/a 3.20n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as IP1 formation after 1 hr by ELISA


Eur J Med Chem 111: 72-83 (2016)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Mus musculus)
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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n/an/an/an/a 0.520n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method


Bioorg Med Chem 23: 5641-53 (2015)

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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n/an/an/an/a 1n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method


Bioorg Med Chem 23: 5641-53 (2015)

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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n/an/a 2.60n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-MeHis-TRH from mouse TRH-R1 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method


Bioorg Med Chem 23: 5641-53 (2015)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Mus musculus)
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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n/an/a 7n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-MeHis-TRH from mouse TRH-R2 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method


Bioorg Med Chem 23: 5641-53 (2015)

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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n/an/an/an/a 0.680n/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Effective concentration required to activate TRH-R receptor in AtT-20 mouse pituitary tumor cells


Citation and Details
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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n/an/a 2.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells


Citation and Details
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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n/an/a 23n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRHR2 expressed in HEK2935 cells


Citation and Details
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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n/an/an/an/a 3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
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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n/an/an/an/a 340n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
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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n/an/an/an/a 3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
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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n/an/an/an/a 2.80n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
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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n/an/an/an/a 5.10E+3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
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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n/an/an/an/a 14n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
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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n/an/an/an/a 3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubatio...


Citation and Details
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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n/an/an/an/a 3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubatio...


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Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50369817
PNG
(CHEMBL1793897)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(CCCC1)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C32H50N10O8/c1-17(2)25(39-20(5)43)30(49)40-22(13-21-14-34-16-36-21)28(47)37-19(4)27(46)35-15-24(44)42-12-8-9-23(42)29(48)41-32(10-6-7-11-32)31(50)38-18(3)26(33)45/h14,16-19,22-23,25H,6-13,15H2,1-5H3,(H2,33,45)(H,34,36)(H,35,46)(H,37,47)(H,38,50)(H,39,43)(H,40,49)(H,41,48)/t18-,19-,22-,23-,25-/m0/s1
PDB
MMDB

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n/an/a 6.80E+5n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay


J Med Chem 43: 1770-9 (2000)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Mus musculus)
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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n/an/an/an/a 0.5n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as Ca2+ release by FLIPR assay


Eur J Med Chem 111: 72-83 (2016)

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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n/an/an/an/a 0.490n/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


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Ligand-Target Pair