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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 = 'BDBM50060772'   
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)		BDBM50060772
PNG
(CHEMBL384385 | [L or DAgl (Pca)2]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](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)NC(=O)c1cnccn1)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/C78H100N18O15/c1-44(2)35-59(69(102)88-58(18-11-12-31-82-45(3)4)78(111)96-34-14-19-66(96)76(109)84-46(5)67(79)101)89-70(103)61(37-50-21-26-56(27-22-50)85-47(6)98)90-71(104)62(38-51-23-28-57(29-24-51)86-48(7)99)91-75(108)65(43-97)93-72(105)63(40-53-15-13-30-80-41-53)92-77(110)68(95-74(107)64-42-81-32-33-83-64)94-73(106)60(87-49(8)100)39-52-20-25-54-16-9-10-17-55(54)36-52/h9-10,13,15-17,20-30,32-33,36,41-42,44-46,58-63,65-66,68,82,97H,11-12,14,18-19,31,34-35,37-40,43H2,1-8H3,(H2,79,101)(H,84,109)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,103)(H,90,104)(H,91,108)(H,92,110)(H,93,105)(H,94,106)(H,95,107)/t46-,58+,59+,60-,61-,62+,63-,65+,66-,68-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/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