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BDBM50060794 CHEMBL2370593::[D/LAgl10]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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](N)C(N)=O

InChI Key: InChIKey=JSDWUYYPOBUWFO-AQTJSYKRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060794   
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)
BDBM50060794
PNG
(CHEMBL2370593 | [D/LAgl10]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](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](N)C(N)=O
Show InChI InChI=1S/C79H101ClN16O14/c1-45(2)36-61(71(102)88-60(17-10-11-34-84-46(3)4)79(110)96-35-13-18-68(96)78(109)95-69(81)70(82)101)89-73(104)64(39-51-22-29-58(30-23-51)85-47(5)98)91-75(106)65(40-52-24-31-59(32-25-52)86-48(6)99)93-77(108)67(44-97)94-76(107)66(42-54-14-12-33-83-43-54)92-74(105)63(38-50-20-27-57(80)28-21-50)90-72(103)62(87-49(7)100)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-46,60-69,84,97H,10-11,13,17-18,34-36,38-42,44,81H2,1-7H3,(H2,82,101)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,104)(H,90,103)(H,91,106)(H,92,105)(H,93,108)(H,94,107)(H,95,109)/t60-,61-,62+,63+,64+,65-,66+,67-,68+,69-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.480n/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