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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50508223'   
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
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50508223
PNG
(CHEMBL4538305)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C38H51N13O6/c1-22(2)16-29(49-38(57)51-50-36(56)30(17-23-10-5-4-6-11-23)48-35(55)31-20-42-21-45-31)34(54)46-27(14-9-15-43-37(40)41-3)33(53)47-28(32(39)52)18-24-19-44-26-13-8-7-12-25(24)26/h4-8,10-13,19-22,27-30,44H,9,14-18H2,1-3H3,(H2,39,52)(H,42,45)(H,46,54)(H,47,53)(H,48,55)(H,50,56)(H3,40,41,43)(H2,49,51,57)/t27-,28-,29-,30-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.240n/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4...

Bioorg Med Chem Lett 29: 654-658 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C
More data for this
Ligand-Target Pair