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BDBM9151 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{2-[5-(5-chloropyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 pyridyl oxazole analog 9

SMILES: CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1cncc(Cl)c1

InChI Key: InChIKey=HDTXCPBQQDOBHP-OBZUUKCFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9151   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM9151
PNG
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...)
Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C39H44ClF3N6O6/c1-38(2,37-45-19-33(55-37)26-15-27(40)18-44-17-26)49-13-12-48(30(21-49)36(53)46-23-39(41,42)43)20-28(50)16-25(14-24-8-4-3-5-9-24)35(52)47-34-29-10-6-7-11-32(29)54-22-31(34)51/h3-11,15,17-19,25,28,30-31,34,50-51H,12-14,16,20-23H2,1-2H3,(H,46,53)(H,47,52)/t25-,28+,30+,31-,34+/m1/s1
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MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0200n/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 13: 2573-6 (2003)


Article DOI: 10.1021/jm800200u
More data for this
Ligand-Target Pair