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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 = 'BDBM50060782'   
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)
BDBM50060782
PNG
(CHEMBL411144 | [L or DAgl (Me, isopropyl--Ala)8]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](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](N(C)C(=O)CCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C80H101ClN16O15/c1-45(2)36-61(77(109)95-71(96(9)69(102)32-34-84-46(3)4)80(112)97-35-13-17-68(97)79(111)85-47(5)70(82)103)89-73(105)64(39-52-21-28-59(29-22-52)86-48(6)99)91-75(107)65(40-53-23-30-60(31-24-53)87-49(7)100)93-78(110)67(44-98)94-76(108)66(42-55-14-12-33-83-43-55)92-74(106)63(38-51-19-26-58(81)27-20-51)90-72(104)62(88-50(8)101)41-54-18-25-56-15-10-11-16-57(56)37-54/h10-12,14-16,18-31,33,37,43,45-47,61-68,71,84,98H,13,17,32,34-36,38-42,44H2,1-9H3,(H2,82,103)(H,85,111)(H,86,99)(H,87,100)(H,88,101)(H,89,105)(H,90,104)(H,91,107)(H,92,106)(H,93,110)(H,94,108)(H,95,109)/t47-,61+,62-,63-,64-,65+,66-,67+,68-,71-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/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