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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 = 'BDBM50162009'   
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


(Homo sapiens (Human))
BDBM50162009
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(4-fluoro-benzyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1 |wD:14.15,(4.07,-1.42,;2.73,-.65,;2.73,.89,;4.07,1.67,;5.39,.88,;6.74,1.65,;6.74,3.19,;5.39,3.94,;4.07,3.19,;2.73,3.96,;1.41,1.67,;1.41,3.21,;.08,.89,;-1.26,1.67,;-2.58,.88,;-2.58,-.66,;-3.92,1.65,;-5.25,.88,;-6.57,1.63,;-6.58,3.19,;-5.25,3.96,;-3.92,3.19,;.08,-.65,;-1.26,-1.42,;1.41,-1.41,;1.41,-2.95,;.07,-3.72,;.08,-5.25,;-1.24,-6.02,;-2.58,-5.25,;-3.92,-6.03,;-2.58,-3.71,;-1.26,-2.94,)|
Show InChI InChI=1S/C26H23F2N3O2/c1-17-24(21-9-5-6-10-22(21)28)25(32)31(16-23(29)19-7-3-2-4-8-19)26(33)30(17)15-18-11-13-20(27)14-12-18/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
63n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair