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4 similar compounds to monomer 50196457

Wt: 376.4
BDBM50050531
Wt: 416.4
BDBM50196449
Wt: 390.4
BDBM50196451
Wt: 466.5
BDBM50196458

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50050531,50196449,50196451,50196458   
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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PubMed
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


(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


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


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



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


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


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 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


(Rattus norvegicus)
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 TRHR2


Citation and Details
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


Citation and Details
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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n/an/an/an/a 1.70E+4n/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)
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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n/an/an/an/a 2.00E+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 2


(Rattus norvegicus)
BDBM50196451
PNG
((2S)-1-{(2S)-3-(1-methyl-1H-4-imidazolyl)-2-[(2S)-...)
Show SMILES Cn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C18H26N6O4/c1-23-9-11(20-10-23)8-13(18(28)24-7-3-5-14(24)16(19)26)22-17(27)12-4-2-6-15(25)21-12/h9-10,12-14H,2-8H2,1H3,(H2,19,26)(H,21,25)(H,22,27)/t12-,13-,14-/m0/s1
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n/an/an/an/a 2.40n/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)
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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n/an/an/an/a 4.90n/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)
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