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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 = 'BDBM4145'   
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)		BDBM4145
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(12-18(29)13-22(15)33)24(35)30-20(10-16-8-6-5-7-9-16)23(34)26(37)32-14-17(28)11-21(32)25(36)31-27(2,3)4/h5-9,12-13,17,20-21,23,33-34H,10-11,14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease

J Med Chem 45: 333-43 (2002)


BindingDB Entry DOI: 10.7270/Q20K27VB
More data for this
Ligand-Target Pair