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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyrotropin-releasing hormone receptor 2' and Ligand = 'BDBM50196451'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)
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
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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