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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein Coupled Receptor 54' and Ligand = 'BDBM50442973'   
Target/Host
(Institution)
LigandTarget/Host
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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50442973
PNG
(CHEMBL3086285)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C56H76N16O11/c1-33(2)25-41(50(78)64-39(22-14-24-63-55(60)61-3)49(77)65-40(47(59)75)27-34-15-7-4-8-16-34)70-56(83)72-71-54(82)43(29-36-19-11-6-12-20-36)67-53(81)45(32-73)69-52(80)44(30-46(58)74)68-51(79)42(28-35-17-9-5-10-18-35)66-48(76)38(57)26-37-21-13-23-62-31-37/h4-13,15-21,23,31,33,38-45,73H,14,22,24-30,32,57H2,1-3H3,(H2,58,74)(H2,59,75)(H,64,78)(H,65,77)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,71,82)(H3,60,61,63)(H2,70,72,83)/t38-,39+,40+,41+,42+,43+,44+,45+/m1/s1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human KISS1R expressed in CHO cell membranes


J Med Chem 56: 8298-307 (2013)


Article DOI: 10.1021/jm401056w
More data for this
Ligand-Target Pair