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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 = 'BDBM50060800'   
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)		BDBM50060800
PNG
(CHEMBL405736 | [D/LAgl (Me,Ac)7]acyline)
Show SMILES CC(C)NCCCC[C@H](NC(=O)[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)N(C)C(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C79H99ClN16O15/c1-45(2)83-35-12-11-18-61(79(111)96-36-14-19-68(96)77(109)84-46(3)69(81)102)88-78(110)70(95(8)50(7)101)94-75(107)65(40-53-25-32-60(33-26-53)86-48(5)99)90-73(105)64(39-52-23-30-59(31-24-52)85-47(4)98)92-76(108)67(44-97)93-74(106)66(42-55-15-13-34-82-43-55)91-72(104)63(38-51-21-28-58(80)29-22-51)89-71(103)62(87-49(6)100)41-54-20-27-56-16-9-10-17-57(56)37-54/h9-10,13,15-17,20-34,37,43,45-46,61-68,70,83,97H,11-12,14,18-19,35-36,38-42,44H2,1-8H3,(H2,81,102)(H,84,109)(H,85,98)(H,86,99)(H,87,100)(H,88,110)(H,89,103)(H,90,105)(H,91,104)(H,92,108)(H,93,106)(H,94,107)/t46-,61+,62-,63-,64+,65-,66-,67+,68-,70+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70n/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