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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 = 'BDBM50288422'   
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)		BDBM50288422
PNG
((4R,5S,6S,7R)-1,3-Bis-benzothiazol-5-ylmethyl-4,7-...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3scnc3c2)C(=O)N(Cc2ccc3scnc3c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C35H32N4O3S2/c40-33-29(17-23-7-3-1-4-8-23)38(19-25-11-13-31-27(15-25)36-21-43-31)35(42)39(20-26-12-14-32-28(16-26)37-22-44-32)30(34(33)41)18-24-9-5-2-6-10-24/h1-16,21-22,29-30,33-34,40-41H,17-20H2/t29-,30-,33+,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against HIV protease

Bioorg Med Chem Lett 6: 2919-2924 (1996)


Article DOI: 10.1016/S0960-894X(96)00531-8
BindingDB Entry DOI: 10.7270/Q2QF8SVC
More data for this
Ligand-Target Pair