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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50322308'   
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))
BDBM50322308
PNG
(CHEMBL1169902 | N-[3-Cyano-4-{3-[(N,N-dimethyl-bet...)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-26(36)31-19-6-3-5-17(13-19)21-15-23(20-9-8-18(29)14-24(20)35)32-27(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)
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PC sid
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells


Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50322308
PNG
(CHEMBL1169902 | N-[3-Cyano-4-{3-[(N,N-dimethyl-bet...)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-26(36)31-19-6-3-5-17(13-19)21-15-23(20-9-8-18(29)14-24(20)35)32-27(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells


Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair