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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 = 'BDBM50060809'   
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)
BDBM50060809
PNG
(CHEMBL267642 | [L or DAgl (formyl)10]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](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](NC=O)C(N)=O
Show InChI InChI=1S/C80H101ClN16O15/c1-46(2)36-62(72(104)89-61(17-10-11-34-84-47(3)4)80(112)97-35-13-18-69(97)79(111)96-71(70(82)103)85-45-99)90-74(106)65(39-52-22-29-59(30-23-52)86-48(5)100)92-76(108)66(40-53-24-31-60(32-25-53)87-49(6)101)94-78(110)68(44-98)95-77(109)67(42-55-14-12-33-83-43-55)93-75(107)64(38-51-20-27-58(81)28-21-51)91-73(105)63(88-50(7)102)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43,45-47,61-69,71,84,98H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,82,103)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H,89,104)(H,90,106)(H,91,105)(H,92,108)(H,93,107)(H,94,110)(H,95,109)(H,96,111)/t61-,62-,63+,64+,65+,66-,67+,68-,69+,71+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.620n/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