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29 similar compounds to monomer 86214

Wt: 362.3
BDBM50072394
Purchase
Wt: 361.3
BDBM86215
Wt: 361.3
BDBM86217
Wt: 376.4
BDBM50050531
Wt: 719.7
BDBM50087854
Wt: 648.7
BDBM50087866
Wt: 718.8
BDBM50087868
Wt: 717.8
BDBM50087870
Wt: 676.7
BDBM50087873
Wt: 690.7
BDBM50087874
Wt: 704.8
BDBM50087882
Wt: 732.8
BDBM50121222
Wt: 648.7
BDBM50121223
Wt: 647.7
BDBM50121227
Wt: 662.7
BDBM50121229
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50072394,86215,86217,50050531,50087854,50087866,50087868,50087870,50087873,50087874,50087882,50121222,50121223,50121227,50121229   
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)

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


Bioorg Med Chem 15: 433-43 (2006)

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)

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...


J Med Chem 48: 6162-5 (2005)

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...


J Med Chem 48: 6162-5 (2005)

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)

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)

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)

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)

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


(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)

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


(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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>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)

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


(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)

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


(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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>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)

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)

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)

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50121229
PNG
(1-(2-{2-[2-(2-Amino-3-methyl-butyrylamino)-3-(3H-i...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C30H50N10O7/c1-7-16(4)24(30(47)36-17(5)25(32)42)39-28(45)21-9-8-10-40(21)22(41)13-34-26(43)18(6)37-27(44)20(11-19-12-33-14-35-19)38-29(46)23(31)15(2)3/h12,14-18,20-21,23-24H,7-11,13,31H2,1-6H3,(H2,32,42)(H,33,35)(H,34,43)(H,36,47)(H,37,44)(H,38,46)(H,39,45)/t16-,17-,18-,20-,21+,23-,24-/m0/s1
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n/an/a 2.10E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cyclophillin A/protein interaction.


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...


J Med Chem 48: 6162-5 (2005)

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50121227
PNG
(1-(2-{2-[3-(3H-Imidazol-4-yl)-2-(3-methyl-butyryla...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C30H49N9O7/c1-7-17(4)25(30(46)35-18(5)26(31)42)38-29(45)22-9-8-10-39(22)24(41)14-33-27(43)19(6)36-28(44)21(12-20-13-32-15-34-20)37-23(40)11-16(2)3/h13,15-19,21-22,25H,7-12,14H2,1-6H3,(H2,31,42)(H,32,34)(H,33,43)(H,35,46)(H,36,44)(H,37,40)(H,38,45)/t17-,18-,19-,21-,22+,25-/m0/s1
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n/an/a 1.65E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cyclophillin A/protein interaction.


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


Bioorg Med Chem 15: 433-43 (2006)

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


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50121222
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C34H56N10O8/c1-9-19(6)28(34(52)39-20(7)29(35)47)43-31(49)24-11-10-12-44(24)25(46)15-37-32(50)26(17(2)3)42-30(48)23(13-22-14-36-16-38-22)41-33(51)27(18(4)5)40-21(8)45/h14,16-20,23-24,26-28H,9-13,15H2,1-8H3,(H2,35,47)(H,36,38)(H,37,50)(H,39,52)(H,40,45)(H,41,51)(H,42,48)(H,43,49)/t19-,20-,23-,24+,26-,27-,28-/m0/s1
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n/an/a 7.60E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cyclophillin A/protein interaction.


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50121223
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
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)NCC(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C28H44N10O8/c1-14(2)23(36-17(5)39)28(46)37-19(9-18-10-30-13-33-18)26(44)35-16(4)25(43)32-12-22(41)38-8-6-7-20(38)27(45)31-11-21(40)34-15(3)24(29)42/h10,13-16,19-20,23H,6-9,11-12H2,1-5H3,(H2,29,42)(H,30,33)(H,31,45)(H,32,43)(H,34,40)(H,35,44)(H,36,39)(H,37,46)/t15-,16-,19-,20+,23-/m0/s1
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n/an/a 2.80E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cyclophillin A/protein interaction.


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/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


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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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


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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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


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 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


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


J Nat Prod 71: 884-6 (2008)

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


J Nat Prod 71: 881-3 (2008)

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


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/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


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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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


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 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


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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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


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


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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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


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

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087854
PNG
(2-{[1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamin...)
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)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C31H49N11O9/c1-15(2)25(39-18(5)43)31(51)41-21(11-19-12-34-14-36-19)29(49)38-17(4)27(47)35-13-24(45)42-10-6-7-22(42)30(50)40-20(8-9-23(32)44)28(48)37-16(3)26(33)46/h12,14-17,20-22,25H,6-11,13H2,1-5H3,(H2,32,44)(H2,33,46)(H,34,36)(H,35,47)(H,37,48)(H,38,49)(H,39,43)(H,40,50)(H,41,51)/t16-,17+,20+,21+,22+,25+/m1/s1
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n/an/a 1.30E+6n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087866
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
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)NCC(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C28H44N10O8/c1-14(2)23(36-17(5)39)28(46)37-19(9-18-10-30-13-33-18)26(44)35-16(4)25(43)32-12-22(41)38-8-6-7-20(38)27(45)31-11-21(40)34-15(3)24(29)42/h10,13-16,19-20,23H,6-9,11-12H2,1-5H3,(H2,29,42)(H,30,33)(H,31,45)(H,32,43)(H,34,40)(H,35,44)(H,36,39)(H,37,46)/t15-,16+,19+,20+,23+/m1/s1
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n/an/a 2.80E+6n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087868
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C33H54N10O8/c1-9-18(4)26(31(50)38-19(5)27(34)46)41-29(48)23-11-10-12-43(23)24(45)15-36-32(51)33(7,8)42-28(47)22(13-21-14-35-16-37-21)40-30(49)25(17(2)3)39-20(6)44/h14,16-19,22-23,25-26H,9-13,15H2,1-8H3,(H2,34,46)(H,35,37)(H,36,51)(H,38,50)(H,39,44)(H,40,49)(H,41,48)(H,42,47)/t18-,19-,22+,23+,25+,26-/m1/s1
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n/an/a 7.60E+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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087873
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
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)NC(C)(C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C30H48N10O8/c1-15(2)23(37-18(5)41)28(47)38-20(11-19-12-32-14-34-19)26(45)35-17(4)25(44)33-13-22(42)40-10-8-9-21(40)27(46)39-30(6,7)29(48)36-16(3)24(31)43/h12,14-17,20-21,23H,8-11,13H2,1-7H3,(H2,31,43)(H,32,34)(H,33,44)(H,35,45)(H,36,48)(H,37,41)(H,38,47)(H,39,46)/t16-,17+,20+,21+,23+/m1/s1
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n/an/a>1.00E+7n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087874
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
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)N[C@@H](C(C)C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C31H50N10O8/c1-15(2)24(38-19(7)42)31(49)39-21(11-20-12-33-14-35-20)28(46)37-18(6)27(45)34-13-23(43)41-10-8-9-22(41)29(47)40-25(16(3)4)30(48)36-17(5)26(32)44/h12,14-18,21-22,24-25H,8-11,13H2,1-7H3,(H2,32,44)(H,33,35)(H,34,45)(H,36,48)(H,37,46)(H,38,42)(H,39,49)(H,40,47)/t17-,18+,21+,22+,24+,25+/m1/s1
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n/an/a 1.50E+6n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087870
PNG
(4-{[1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamin...)
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(CCNCC1)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C32H51N11O8/c1-17(2)25(40-20(5)44)30(50)41-22(13-21-14-35-16-37-21)28(48)38-19(4)27(47)36-15-24(45)43-12-6-7-23(43)29(49)42-32(8-10-34-11-9-32)31(51)39-18(3)26(33)46/h14,16-19,22-23,25,34H,6-13,15H2,1-5H3,(H2,33,46)(H,35,37)(H,36,47)(H,38,48)(H,39,51)(H,40,44)(H,41,50)(H,42,49)/t18-,19+,22+,23+,25+/m1/s1
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n/an/a>1.00E+7n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50087882
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C32H52N10O8/c1-8-17(4)26(32(50)37-18(5)27(33)45)41-30(48)23-10-9-11-42(23)24(44)14-35-28(46)19(6)38-29(47)22(12-21-13-34-15-36-21)40-31(49)25(16(2)3)39-20(7)43/h13,15-19,22-23,25-26H,8-12,14H2,1-7H3,(H2,33,45)(H,34,36)(H,35,46)(H,37,50)(H,38,47)(H,39,43)(H,40,49)(H,41,48)/t17-,18-,19+,22+,23+,25+,26-/m1/s1
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n/an/a 8.50E+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


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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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


J Med Chem 39: 1571-4 (1996)

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...


J Med Chem 48: 6162-5 (2005)

More data for this
Ligand-Target Pair