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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 = 'BDBM50322309'   
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))
BDBM50322309
PNG
(CHEMBL1170903 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1
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Article
PubMed
n/an/a 7.90n/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)
BDBM50322309
PNG
(CHEMBL1170903 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/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