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BDBM50496356 CHEMBL3126456

SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CC(C)(C)CC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

InChI Key: InChIKey=GJPOAZWQGYBJEH-HYWNNBOMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50496356   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50496356
PNG
(CHEMBL3126456)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CC(C)(C)CC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C37H58O7/c1-31(2)14-16-37(30(42)43)17-15-35(8)22(23(37)18-31)10-11-26-34(7)19-24(44-28(40)21-32(3,4)20-27(38)39)29(41)33(5,6)25(34)12-13-36(26,35)9/h10,23-26,29,41H,11-21H2,1-9H3,(H,38,39)(H,42,43)/t23-,24+,25-,26+,29-,34-,35+,36+,37-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay

Eur J Med Chem 74: 278-301 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.049
BindingDB Entry DOI: 10.7270/Q2T43X2N
More data for this
Ligand-Target Pair