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Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P21761   
Target/Host
(Institution)
LigandTarget/Host
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


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)
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 |r|
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


(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
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 |r|
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


(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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PubMed
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 |t:15|
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
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
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 [H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(N)=O
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


(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
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 |t:15|
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