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BDBM50060776 CHEMBL262825::[D/LAgl (4-hydroxybenzoyl)5]acyline

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](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)NC(=O)c1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=PCZMMNARBJJLGS-AJARYGAOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060776   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50060776
PNG
(CHEMBL262825 | [D/LAgl (4-hydroxybenzoyl)5]acyline)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](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)NC(=O)c1ccc(O)cc1)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/C78H98ClN15O15/c1-44(2)36-60(70(101)86-59(17-10-11-34-82-45(3)4)78(109)94-35-13-18-66(94)76(107)83-46(5)67(80)99)87-73(104)63(39-50-22-29-57(30-23-50)84-47(6)96)90-77(108)68(92-69(100)54-25-31-58(98)32-26-54)93-75(106)65(43-95)91-74(105)64(41-52-14-12-33-81-42-52)89-72(103)62(38-49-20-27-56(79)28-21-49)88-71(102)61(85-48(7)97)40-51-19-24-53-15-8-9-16-55(53)37-51/h8-9,12,14-16,19-33,37,42,44-46,59-66,68,82,95,98H,10-11,13,17-18,34-36,38-41,43H2,1-7H3,(H2,80,99)(H,83,107)(H,84,96)(H,85,97)(H,86,101)(H,87,104)(H,88,102)(H,89,103)(H,90,108)(H,91,105)(H,92,100)(H,93,106)/t46-,59+,60+,61-,62-,63-,64-,65+,66-,68-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/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