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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 = 'BDBM50060789'   
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)
BDBM50060789
PNG
(CHEMBL262309 | [D or LAgl (Me,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)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)N(C)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/C81H103ClN16O14/c1-47(2)38-64(73(104)90-63(19-12-13-36-85-48(3)4)81(112)98-37-15-20-70(98)79(110)86-49(5)71(83)103)91-75(106)67(41-54-24-31-61(32-25-54)87-50(6)100)93-77(108)68(42-55-26-33-62(34-27-55)88-51(7)101)95-80(111)72(97(9)46-99)96-78(109)69(44-57-16-14-35-84-45-57)94-76(107)66(40-53-22-29-60(82)30-23-53)92-74(105)65(89-52(8)102)43-56-21-28-58-17-10-11-18-59(58)39-56/h10-11,14,16-18,21-35,39,45-49,63-70,72,85H,12-13,15,19-20,36-38,40-44H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,106)(H,92,105)(H,93,108)(H,94,107)(H,95,111)(H,96,109)/t49-,63+,64+,65-,66-,67-,68+,69-,70-,72-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/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