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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thyrotropin-releasing hormone receptor' and Ligand = 'BDBM50173824'   
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


(Rattus norvegicus)
BDBM50173824
PNG
(1-[3-{2-[1-(1-adamantyl)ethyl]-1H-4-imidazolyl}-2-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C26H36N6O4/c27-22(34)20-2-1-5-32(20)24(36)19(31-23(35)18-3-4-21(33)30-18)9-17-13-28-25(29-17)26-10-14-6-15(11-26)8-16(7-14)12-26/h13-16,18-20H,1-12H2,(H2,27,34)(H,28,29)(H,30,33)(H,31,35)/t14?,15?,16?,18-,19-,20-,26?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+5n/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


(Rattus norvegicus)
BDBM50173824
PNG
(1-[3-{2-[1-(1-adamantyl)ethyl]-1H-4-imidazolyl}-2-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C26H36N6O4/c27-22(34)20-2-1-5-32(20)24(36)19(31-23(35)18-3-4-21(33)30-18)9-17-13-28-25(29-17)26-10-14-6-15(11-26)8-16(7-14)12-26/h13-16,18-20H,1-12H2,(H2,27,34)(H,28,29)(H,30,33)(H,31,35)/t14?,15?,16?,18-,19-,20-,26?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/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