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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 = 'BDBM50060805'   
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)
BDBM50060805
PNG
(CHEMBL410798 | [L or LAgl (formyl)4]acyline)
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)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/C80H101ClN16O14/c1-46(2)37-63(72(103)90-62(18-11-12-35-84-47(3)4)80(111)97-36-14-19-69(97)78(109)86-48(5)70(82)102)91-74(105)66(40-53-23-30-60(31-24-53)87-49(6)99)93-76(107)67(41-54-25-32-61(33-26-54)88-50(7)100)95-79(110)71(85-45-98)96-77(108)68(43-56-15-13-34-83-44-56)94-75(106)65(39-52-21-28-59(81)29-22-52)92-73(104)64(89-51(8)101)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44-48,62-69,71,84H,11-12,14,18-19,35-37,39-43H2,1-8H3,(H2,82,102)(H,85,98)(H,86,109)(H,87,99)(H,88,100)(H,89,101)(H,90,103)(H,91,105)(H,92,104)(H,93,107)(H,94,106)(H,95,110)(H,96,108)/t48-,62+,63+,64-,65-,66-,67+,68-,69-,71-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.840n/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