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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin releasing hormone 1 (GnRHR1)' and Ligand = 'BDBM50121089'   
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121089
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C |(4.72,-8.31,;3.37,-7.54,;2.04,-8.29,;.71,-7.54,;.71,-6,;2.04,-5.23,;3.37,-6,;4.72,-5.23,;4.72,-3.69,;5.88,-2.64,;5.26,-1.26,;3.72,-1.41,;3.39,-2.92,;2.71,-.24,;1.2,-.54,;3.2,1.21,;2.19,2.37,;.68,2.07,;-.33,3.24,;-1.84,2.96,;-2.33,1.49,;-3.85,1.17,;-4.87,2.33,;-4.38,3.77,;-2.89,4.08,;-5.41,4.94,;-6.42,6.08,;-6.55,3.91,;-4.25,5.94,;-1.33,.32,;.17,.62,;-.62,-5.23,;-1.96,-4.46,;.71,-4.46,;-1.96,-6,;-1.96,-7.54,;-.62,-8.29,;.47,-9.39,;-2.12,-8.71,)|
Show InChI InChI=1S/C31H41F3N2O3/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(39-23)27(37)35-17-20-6-8-21(9-7-20)18-36-28(38)31(32,33)34/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,35,37)(H,36,38)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
66n/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 to human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3467-70 (2002)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair