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BDBM50478121 CHEMBL271818

SMILES: COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)C#N)C(C)(C)C

InChI Key: InChIKey=FAWGAMJKRHLQQP-NGUINGDESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478121   
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))		BDBM50478121
PNG
(CHEMBL271818)
Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)C#N)C(C)(C)C
Show InChI InChI=1S/C37H45N5O6/c1-36(2,3)32(40-35(46)48-4)33(44)41-42(24-27-17-15-26(23-38)16-18-27)20-10-19-37(47,22-25-11-6-5-7-12-25)34(45)39-31-29-14-9-8-13-28(29)21-30(31)43/h5-9,11-18,30-32,43,47H,10,19-22,24H2,1-4H3,(H,39,45)(H,40,46)(H,41,44)/t30-,31+,32-,37-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli

J Med Chem 51: 1053-7 (2008)


Article DOI: 10.1021/jm070680h
BindingDB Entry DOI: 10.7270/Q20Z7629
More data for this
Ligand-Target Pair