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Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM9111'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9111
PNG
((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...)
Show SMILES CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
Show InChI InChI=1S/C39H47ClF3N7O7/c1-4-7-32-47-48-33(57-32)17-24(35(53)46-34-27-8-5-6-9-30(27)55-21-29(34)52)16-26(51)19-49-14-15-50(20-28(49)36(54)45-22-39(41,42)43)38(2,3)37-44-18-31(56-37)23-10-12-25(40)13-11-23/h5-6,8-13,18,24,26,28-29,34,51-52H,4,7,14-17,19-22H2,1-3H3,(H,45,54)(H,46,53)/t24-,26-,28-,29+,34-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0150n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...


Bioorg Med Chem Lett 14: 4651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.092
More data for this
Ligand-Target Pair