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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 = 'BDBM50121471'   
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))
BDBM50121471
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)|
Show InChI InChI=1S/C34H44N6O2/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(41)37-18-22-6-8-23(9-7-22)19-38-32-39-20-25(17-35)30(36)40-32/h10-11,14,16,20,22-23H,6-9,12-13,15,18-19H2,1-5H3,(H,37,41)(H3,36,38,39,40)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
63n/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 human 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