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BDBM50480941 CHEMBL583567

SMILES: COCCNC(=O)[C@@H](NC(=O)[C@](O)(CCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)C

InChI Key: InChIKey=ZLRZAKQLKHYLOI-FPQPQGOJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480941   
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))		BDBM50480941
PNG
(CHEMBL583567)
Show SMILES COCCNC(=O)[C@@H](NC(=O)[C@](O)(CCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C34H50BrN5O7/c1-23(2)27(29(41)36-18-20-46-6)37-31(43)34(45,21-24-11-9-8-10-12-24)17-19-40(22-25-13-15-26(35)16-14-25)39-30(42)28(33(3,4)5)38-32(44)47-7/h8-16,23,27-28,45H,17-22H2,1-7H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t27-,28+,34-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.76E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay

J Med Chem 53: 607-15 (2010)


Article DOI: 10.1021/jm901165g
BindingDB Entry DOI: 10.7270/Q29Z97R7
More data for this
Ligand-Target Pair