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BDBM50060790 CHEMBL444903::D/LAgl (Ac)7]acyline

SMILES: CC(C)NCCCC[C@H](NC(=O)[C@H](NC(C)=O)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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=DYDIYVXBRLXNLH-GKTYIRDESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060790   
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)
BDBM50060790
PNG
(CHEMBL444903 | D/LAgl (Ac)7]acyline)
Show SMILES CC(C)NCCCC[C@H](NC(=O)[C@H](NC(C)=O)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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C78H97ClN16O15/c1-44(2)82-34-11-10-17-60(78(110)95-35-13-18-67(95)76(108)83-45(3)68(80)101)88-77(109)69(87-49(7)100)94-74(106)64(39-52-24-31-59(32-25-52)85-47(5)98)90-72(104)63(38-51-22-29-58(30-23-51)84-46(4)97)92-75(107)66(43-96)93-73(105)65(41-54-14-12-33-81-42-54)91-71(103)62(37-50-20-27-57(79)28-21-50)89-70(102)61(86-48(6)99)40-53-19-26-55-15-8-9-16-56(55)36-53/h8-9,12,14-16,19-33,36,42,44-45,60-67,69,82,96H,10-11,13,17-18,34-35,37-41,43H2,1-7H3,(H2,80,101)(H,83,108)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,88,109)(H,89,102)(H,90,104)(H,91,103)(H,92,107)(H,93,105)(H,94,106)/t45-,60+,61-,62-,63+,64-,65-,66+,67-,69-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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