new BindingDB logo
myBDB logout

BDBM50060808 CHEMBL436683::[Ac-L or DAgl (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)NC(=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=YBOZJLDDASMPAF-ZQHGQJHWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060808   
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)
BDBM50060808
PNG
(CHEMBL436683 | [Ac-L or DAgl (2-naphthoyl)1]acylin...)
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)NC(=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/C80H101ClN16O15/c1-45(2)37-62(72(104)89-61(18-11-12-35-84-46(3)4)80(112)97-36-14-19-68(97)78(110)85-47(5)69(82)102)90-73(105)63(39-52-22-30-59(31-23-52)86-48(6)99)91-74(106)64(40-53-24-32-60(33-25-53)87-49(7)100)93-77(109)67(44-98)95-76(108)66(41-54-15-13-34-83-43-54)92-75(107)65(38-51-20-28-58(81)29-21-51)94-79(111)70(88-50(8)101)96-71(103)57-27-26-55-16-9-10-17-56(55)42-57/h9-10,13,15-17,20-34,42-43,45-47,61-68,70,84,98H,11-12,14,18-19,35-41,44H2,1-8H3,(H2,82,102)(H,85,110)(H,86,99)(H,87,100)(H,88,101)(H,89,104)(H,90,105)(H,91,106)(H,92,107)(H,93,109)(H,94,111)(H,95,108)(H,96,103)/t47-,61+,62+,63-,64+,65-,66-,67+,68-,70-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.880n/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