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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 = 'BDBM50060779'   
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)
BDBM50060779
PNG
(CHEMBL407316 | [L or DAgl (hydroxyacetic acid)4]ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](NC(=O)CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C81H103ClN16O15/c1-46(2)37-63(73(105)90-62(18-11-12-35-85-47(3)4)81(113)98-36-14-19-69(98)79(111)86-48(5)71(83)104)91-75(107)66(40-53-23-30-60(31-24-53)87-49(6)100)93-77(109)67(41-54-25-32-61(33-26-54)88-50(7)101)95-80(112)72(96-70(103)45-99)97-78(110)68(43-56-15-13-34-84-44-56)94-76(108)65(39-52-21-28-59(82)29-22-52)92-74(106)64(89-51(8)102)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-69,72,85,99H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,83,104)(H,86,111)(H,87,100)(H,88,101)(H,89,102)(H,90,105)(H,91,107)(H,92,106)(H,93,109)(H,94,108)(H,95,112)(H,96,103)(H,97,110)/t48-,62+,63+,64-,65-,66-,67+,68-,69-,72-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of radiolabeled histrelin to Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary gland membranes


J Med Chem 40: 3739-48 (1997)


Article DOI: 10.1021/jm970024p
BindingDB Entry DOI: 10.7270/Q24J0D8X
More data for this
Ligand-Target Pair