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BDBM50060778 CHEMBL407681::[D/LAgl (Me, 4-(acetylamino)benzoyl)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)N(C)C(=O)c1ccc(NC(C)=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=SHWIQHRDLLTLPY-QNVCOSBASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060778   
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)
BDBM50060778
PNG
(CHEMBL407681 | [D/LAgl (Me, 4-(acetylamino)benzoyl...)
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)N(C)C(=O)c1ccc(NC(C)=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/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)91-75(107)66(41-53-24-31-60(32-25-53)87-49(6)100)94-79(111)71(97(9)80(112)57-27-33-61(34-28-57)88-50(7)101)96-77(109)68(45-99)95-76(108)67(43-55-16-14-35-84-44-55)93-74(106)65(40-52-22-29-59(82)30-23-52)92-73(105)64(89-51(8)102)42-54-21-26-56-17-10-11-18-58(56)39-54/h10-11,14,16-18,21-35,39,44,46-48,62-69,71,85,99H,12-13,15,19-20,36-38,40-43,45H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,107)(H,92,105)(H,93,106)(H,94,111)(H,95,108)(H,96,109)/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 0.430n/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