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BDBM50485185 CHEMBL2035871

SMILES: [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](O)[C@@]1([H])OC(C)(C)O2

InChI Key: InChIKey=PRZLWXOOEWYMCM-PMUYXNFGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485185   
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))		BDBM50485185
PNG
(CHEMBL2035871)
Show SMILES [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r|
Show InChI InChI=1S/C25H37N3O8/c1-13(2)18(23(32)33)28-22(31)14(3)27-17(29)11-16(26-12-15-9-7-6-8-10-15)20-19(30)21-24(34-20)36-25(4,5)35-21/h6-10,13-14,16,18-21,24,26,30H,11-12H2,1-5H3,(H,27,29)(H,28,31)(H,32,33)/t14-,16-,18-,19-,20?,21+,24+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...

Eur J Med Chem 53: 13-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.027
BindingDB Entry DOI: 10.7270/Q2QC06CB
More data for this
Ligand-Target Pair