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BDBM50480942 CHEMBL583069

SMILES: CNC(=O)[C@@H](NC(=O)[C@@](O)(CCN(Cc1cccnc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C

InChI Key: InChIKey=QMVVJRQCNIRZJP-NCLPYWGKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480942   
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))		BDBM50480942
PNG
(CHEMBL583069)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@](O)(CCN(Cc1cccnc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C32H48N6O6/c1-30(2,3)24(26(39)33-7)35-28(41)32(43,19-22-13-10-9-11-14-22)16-18-38(21-23-15-12-17-34-20-23)37-27(40)25(31(4,5)6)36-29(42)44-8/h9-15,17,20,24-25,43H,16,18-19,21H2,1-8H3,(H,33,39)(H,35,41)(H,36,42)(H,37,40)/t24-,25-,32-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1n/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