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SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1cccc2cccnc12

InChI Key: InChIKey=CLIXBIHFQNOBIT-HKFHRXRESA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123005   
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
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM123005
PNG
(US8742158, EX 27)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1cccc2cccnc12 |r|
Show InChI InChI=1S/C36H44N4O6S/c1-26(2)24-40(47(44,45)31-21-12-18-29-19-13-23-37-33(29)31)30(25-41)20-10-11-22-38-35(42)34(39-36(43)46-3)32(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-9,12-19,21,23,26,30,32,34,41H,10-11,20,22,24-25H2,1-3H3,(H,38,42)(H,39,43)/t30-,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.55n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair