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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 = 'BDBM50196449'   
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)
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
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)
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
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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