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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50410086'   
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50410086
PNG
(CHEMBL2096778)
Show SMILES CC(C)(C)CNC(=O)NCCc1nc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3S/c1-29(2,3)20-32-28(36)31-16-15-27-34-25-17-24(39(37,38)33-18-21-9-11-23(30)12-10-21)13-14-26(25)35(27)19-22-7-5-4-6-8-22/h4-14,17,33H,15-16,18-20H2,1-3H3,(H2,31,32,36)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards rat leutinizing releasing hormone receptor


Bioorg Med Chem Lett 15: 805-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.090
BindingDB Entry DOI: 10.7270/Q27M07D8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50410086
PNG
(CHEMBL2096778)
Show SMILES CC(C)(C)CNC(=O)NCCc1nc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3S/c1-29(2,3)20-32-28(36)31-16-15-27-34-25-17-24(39(37,38)33-18-21-9-11-23(30)12-10-21)13-14-26(25)35(27)19-22-7-5-4-6-8-22/h4-14,17,33H,15-16,18-20H2,1-3H3,(H2,31,32,36)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards human leutinizing releasing hormone receptor


Bioorg Med Chem Lett 15: 805-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.090
BindingDB Entry DOI: 10.7270/Q27M07D8
More data for this
Ligand-Target Pair