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BDBM50485184 CHEMBL2035873

SMILES: COC(=O)[C@H](CC(C)C)NC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI Key: InChIKey=CAMIQYVMECEVQV-FJZJRGPCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485184   
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))		BDBM50485184
PNG
(CHEMBL2035873)
Show SMILES COC(=O)[C@H](CC(C)C)NC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
Show InChI InChI=1S/C39H56N4O10/c1-22(2)18-29(38(49)51-6)40-24(5)27(20-25-14-10-8-11-15-25)41-36(47)33-31(44)32(45)34(53-33)37(48)42-28(21-26-16-12-9-13-17-26)35(46)43-30(19-23(3)4)39(50)52-7/h8-17,22-24,27-34,40,44-45H,18-21H2,1-7H3,(H,41,47)(H,42,48)(H,43,46)/t24?,27-,28-,29-,30-,31-,32-,33+,34+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease

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