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 = 'BDBM50442976'   
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))
BDBM50442976
PNG
(CHEMBL3086280)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:62.63|
Show InChI InChI=1S/C54H79N15O12/c1-6-31(4)44(67-46(74)36(55)25-34-19-21-35(71)22-20-34)52(80)64-41(28-43(56)72)49(77)65-42(29-70)50(78)63-40(27-33-16-11-8-12-17-33)51(79)68-69-54(81)66-39(24-30(2)3)48(76)61-37(18-13-23-60-53(58)59-5)47(75)62-38(45(57)73)26-32-14-9-7-10-15-32/h7-12,14-17,19-22,30-31,36-42,44,70-71H,6,13,18,23-29,55H2,1-5H3,(H2,56,72)(H2,57,73)(H,61,76)(H,62,75)(H,63,78)(H,64,80)(H,65,77)(H,67,74)(H,68,79)(H3,58,59,60)(H2,66,69,81)/t31-,36+,37-,38-,39-,40-,41-,42-,44-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.120n/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