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Target
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 1408.5
BDBM50082077
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
1
hit in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
KiSS-1 receptor
(Homo sapiens (Human))
BDBM50082077
(CHEMBL3422410)
Show SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)n1cc(Cn2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)nn1 |r|
Show InChI
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PC cid
PC sid
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Article
PubMed
n/a
n/a
n/a
n/a
120
n/a
n/a
n/a
n/a
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by
ChEMBL
Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...
J Med Chem
58:
3459
-
70
(2015)
Article DOI:
10.1021/jm5019675
BindingDB Entry DOI:
10.7270/Q2JD4ZHJ
More data for this
Ligand-Target Pair