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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 = 'BDBM50060783'   
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)		BDBM50060783
PNG
(CHEMBL263200 | [D or LAgL (Apc)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)c1cn[nH]c1N)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/C77H101N19O15/c1-42(2)33-58(69(103)87-57(18-11-12-31-81-43(3)4)77(111)96-32-14-19-64(96)75(109)83-44(5)66(79)101)88-70(104)60(35-48-21-26-54(27-22-48)84-45(6)98)89-71(105)61(36-49-23-28-55(29-24-49)85-46(7)99)90-74(108)63(41-97)92-72(106)62(38-51-15-13-30-80-39-51)91-76(110)67(93-68(102)56-40-82-95-65(56)78)94-73(107)59(86-47(8)100)37-50-20-25-52-16-9-10-17-53(52)34-50/h9-10,13,15-17,20-30,34,39-40,42-44,57-64,67,81,97H,11-12,14,18-19,31-33,35-38,41H2,1-8H3,(H2,79,101)(H,83,109)(H,84,98)(H,85,99)(H,86,100)(H,87,103)(H,88,104)(H,89,105)(H,90,108)(H,91,110)(H,92,106)(H,93,102)(H,94,107)(H3,78,82,95)/t44-,57+,58+,59-,60-,61+,62-,63+,64-,67-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+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