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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50121463'   
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)
BDBM50121463
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncccn3)CC1)C(C)(C)CCC2(C)C |(-1.64,-16.7,;-3,-15.99,;-4.37,-16.7,;-5.73,-15.99,;-5.73,-14.55,;-4.37,-13.84,;-3,-14.54,;-1.65,-13.82,;-.28,-14.53,;-.28,-15.97,;2.44,-15.99,;2.44,-14.54,;1.08,-13.82,;3.81,-13.82,;3.81,-12.38,;5.17,-14.55,;6.66,-13.66,;8.16,-14.5,;9.65,-13.61,;11.17,-14.45,;11.2,-16.18,;12.71,-17.02,;14.19,-16.13,;15.6,-17.12,;15.46,-18.85,;16.88,-19.84,;18.43,-19.1,;18.58,-17.37,;17.17,-16.39,;9.71,-17.04,;8.2,-16.23,;-7.08,-13.82,;-8.46,-13.11,;-5.73,-13.1,;-8.43,-14.55,;-8.43,-15.99,;-7.08,-16.7,;-5.73,-17.41,;-8.46,-17.41,)|
Show InChI InChI=1S/C33H44N4O2/c1-22-17-27-28(33(4,5)14-13-32(27,2)3)19-25(22)18-26-11-12-29(39-26)30(38)36-20-23-7-9-24(10-8-23)21-37-31-34-15-6-16-35-31/h6,11-12,15-17,19,23-24H,7-10,13-14,18,20-21H2,1-5H3,(H,36,38)(H,34,35,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.76E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair