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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 = 'BDBM180170'   
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...)		BDBM180170
PNG
(US9133157, 52)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1cc(F)c(CO)c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C38H42F5N3O7S2/c1-37(2,3)17-18-46(55(51,52)25-19-27(39)26(21-47)28(40)20-25)29(22-48)30-15-16-31(54-30)34(38(41,42)43)45-35(49)33(44-36(50)53-4)32(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,19-20,29,32-34,47-48H,17-18,21-22H2,1-4H3,(H,44,50)(H,45,49)/t29-,33+,34-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/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