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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM180178'   
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


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM180178
PNG
(US9133157, 60)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C35H39F3N4O6S2/c1-22(2)20-42(50(46,47)26-16-14-25(39)15-17-26)27(21-43)28-18-19-29(49-28)32(35(36,37)38)41-33(44)31(40-34(45)48-3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22,27,30-32,43H,20-21,39H2,1-3H3,(H,40,45)(H,41,44)/t27-,31+,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.01n/an/an/an/a5.525



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...

US Patent US9133157 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NDV
More data for this
Ligand-Target Pair