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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 = 'BDBM50165530'   
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)
BDBM50165530
PNG
(6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzy...)
Show SMILES CCCn1c(SCc2cc(ccc2OC)[N+]([O-])=O)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCCN(C)C)c12
Show InChI InChI=1S/C29H41N7O5S/c1-8-13-35-25-22(26(37)30-12-9-14-34(5)6)16-20(31-27(38)33-29(2,3)4)17-23(25)32-28(35)42-18-19-15-21(36(39)40)10-11-24(19)41-7/h10-11,15-17H,8-9,12-14,18H2,1-7H3,(H,30,37)(H2,31,33,38)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat leutinizing releasing hormone receptor


Bioorg Med Chem Lett 15: 2265-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.030
BindingDB Entry DOI: 10.7270/Q2GB23K1
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50165530
PNG
(6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzy...)
Show SMILES CCCn1c(SCc2cc(ccc2OC)[N+]([O-])=O)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCCN(C)C)c12
Show InChI InChI=1S/C29H41N7O5S/c1-8-13-35-25-22(26(37)30-12-9-14-34(5)6)16-20(31-27(38)33-29(2,3)4)17-23(25)32-28(35)42-18-19-15-21(36(39)40)10-11-24(19)41-7/h10-11,15-17H,8-9,12-14,18H2,1-7H3,(H,30,37)(H2,31,33,38)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibitory concentration against human leutinizing releasing hormone receptor


Bioorg Med Chem Lett 15: 2265-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.030
BindingDB Entry DOI: 10.7270/Q2GB23K1
More data for this
Ligand-Target Pair