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BDBM50060811 CHEMBL412472::[Ac-D or LAgl (Me,2-naphthoyl)1]acyline

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](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(C)=O)N(C)C(=O)c1ccc2ccccc2c1)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=MGMUQERCRNYNDZ-NJBUMNMXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060811   
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)
BDBM50060811
PNG
(CHEMBL412472 | [Ac-D or LAgl (Me,2-naphthoyl)1]acy...)
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](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(C)=O)N(C)C(=O)c1ccc2ccccc2c1)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/C81H103ClN16O15/c1-46(2)38-63(72(104)90-62(19-12-13-36-85-47(3)4)81(113)98-37-15-20-69(98)78(110)86-48(5)70(83)103)91-73(105)64(40-53-23-31-60(32-24-53)87-49(6)100)92-74(106)65(41-54-25-33-61(34-26-54)88-50(7)101)94-77(109)68(45-99)96-76(108)67(42-55-16-14-35-84-44-55)93-75(107)66(39-52-21-29-59(82)30-22-52)95-79(111)71(89-51(8)102)97(9)80(112)58-28-27-56-17-10-11-18-57(56)43-58/h10-11,14,16-18,21-35,43-44,46-48,62-69,71,85,99H,12-13,15,19-20,36-42,45H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,105)(H,92,106)(H,93,107)(H,94,109)(H,95,111)(H,96,108)/t48-,62+,63+,64-,65+,66-,67-,68+,69-,71+/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