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BDBM50494409 CHEMBL3086262

SMILES: COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)\C=C/CNC(=O)[C@@H](NC1=O)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C

InChI Key: InChIKey=UJTKSCURVAPLSV-FCASXGHNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50494409   
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))		BDBM50494409
PNG
(CHEMBL3086262)
Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(cc2)\C=C/CNC(=O)[C@@H](NC1=O)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C |r,c:23|
Show InChI InChI=1S/C36H50BrN5O6/c1-34(2,3)28-30(43)38-20-8-10-24-11-13-25(14-12-24)22-36(47,32(45)39-28)19-9-21-42(23-26-15-17-27(37)18-16-26)41-31(44)29(35(4,5)6)40-33(46)48-7/h8,10-18,28-29,47H,9,19-23H2,1-7H3,(H,38,43)(H,39,45)(H,40,46)(H,41,44)/b10-8-/t28-,29-,36-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5n/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 56: 8999-9007 (2013)


Article DOI: 10.1021/jm400811d
BindingDB Entry DOI: 10.7270/Q2571FZW
More data for this
Ligand-Target Pair