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BDBM50060774 CHEMBL2370594::[D/LAgl (Me,formyl)10]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)C=O)C(N)=O

InChI Key: InChIKey=LRFRCDNKZQUTCO-XWMPQANASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060774   
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)
BDBM50060774
PNG
(CHEMBL2370594 | [D/LAgl (Me,formyl)10]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)C=O)C(N)=O
Show InChI InChI=1S/C81H103ClN16O15/c1-47(2)37-63(73(105)89-62(18-11-12-35-85-48(3)4)81(113)98-36-14-19-70(98)80(112)96-72(71(83)104)97(8)46-100)90-75(107)66(40-53-23-30-60(31-24-53)86-49(5)101)92-77(109)67(41-54-25-32-61(33-26-54)87-50(6)102)94-79(111)69(45-99)95-78(110)68(43-56-15-13-34-84-44-56)93-76(108)65(39-52-21-28-59(82)29-22-52)91-74(106)64(88-51(7)103)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,72,85,99H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,83,104)(H,86,101)(H,87,102)(H,88,103)(H,89,105)(H,90,107)(H,91,106)(H,92,109)(H,93,108)(H,94,111)(H,95,110)(H,96,112)/t62-,63-,64+,65+,66+,67-,68+,69-,70+,72-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.670n/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