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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50000757'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50000757
PNG
(CHEMBL408723)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1
Show InChI InChI=1S/C30H33F2N3O4/c1-21(2)26(35-29(38)39-20-24-15-9-10-18-33-24)28(37)34-25(19-23-13-7-4-8-14-23)27(36)30(31,32)17-16-22-11-5-3-6-12-22/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,34,37)(H,35,38)/t25-,26-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
 2.20n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease

J Med Chem 37: 1769-78 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair