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BDBM50481015 CHEMBL568832

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(C)C

InChI Key: InChIKey=FBBOJLQFUXLXST-BSVUDGANSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50481015   
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))		BDBM50481015
PNG
(CHEMBL568832)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccncc1)CS(=O)(=O)C(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C54H76N6O10S2/c1-35(2)45(59-49(63)41(29-39-21-25-55-26-22-39)33-71(67,68)53(5,6)7)51(65)57-43(31-37-17-13-11-14-18-37)47(61)48(62)44(32-38-19-15-12-16-20-38)58-52(66)46(36(3)4)60-50(64)42(30-40-23-27-56-28-24-40)34-72(69,70)54(8,9)10/h11-28,35-36,41-48,61-62H,29-34H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t41-,42-,43+,44+,45+,46+,47-,48-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a



Universidade Federal de Lavras

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity

Eur J Med Chem 44: 4344-52 (2009)


Article DOI: 10.1016/j.ejmech.2009.05.016
BindingDB Entry DOI: 10.7270/Q2JH3Q0K
More data for this
Ligand-Target Pair