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BDBM9140 (2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)-4-{[1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}piperazine-2-carboxamide::P3 arylpyrrole analog 21

SMILES: O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(F)c(F)c2F)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=WUIIVYZPUDLMGE-OTTPZFKLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9140   
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)
BDBM9140
PNG
((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...)
Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(F)c(F)c2F)C[C@H]1C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C38H40F6N6O5/c39-28-7-8-29(34(41)33(28)40)49-11-9-24(18-49)17-48-12-13-50(30(20-48)37(54)46-22-38(42,43)44)19-26(51)15-25(14-23-4-3-10-45-16-23)36(53)47-35-27-5-1-2-6-32(27)55-21-31(35)52/h1-11,16,18,25-26,30-31,35,51-52H,12-15,17,19-22H2,(H,46,54)(H,47,53)/t25-,26+,30+,31-,35+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0500n/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: 4027-30 (2003)


Article DOI: 10.1016/j.bmc.2006.09.055
BindingDB Entry DOI: 10.7270/Q2Z60M7Z
More data for this
Ligand-Target Pair