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3 similar compounds to monomer 50196449

Wt: 376.4
BDBM50050531
Wt: 390.4
BDBM50196451
Wt: 404.4
BDBM50196457

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50050531,50196451,50196457   
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


(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


(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 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 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


(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)
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)
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 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