BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein Coupled Receptor 54' and Ligand = 'BDBM50442969'   
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))
BDBM50442969
PNG
(CHEMBL3085805)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C57H80N18O13/c1-30(2)22-39(50(82)66-37(20-13-21-64-56(62)63-4)49(81)67-38(47(61)79)23-32-14-7-5-8-15-32)73-57(88)75-74-55(87)40(24-33-16-9-6-10-17-33)69-54(86)44(29-76)72-53(85)43(27-46(60)78)71-51(83)41(25-34-28-65-36-19-12-11-18-35(34)36)70-52(84)42(26-45(59)77)68-48(80)31(3)58/h5-12,14-19,28,30-31,37-44,65,76H,13,20-27,29,58H2,1-4H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,66,82)(H,67,81)(H,68,80)(H,69,86)(H,70,84)(H,71,83)(H,72,85)(H,74,87)(H3,62,63,64)(H2,73,75,88)/t31-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.510n/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