BindingDB logo
myBDB logout

BDBM122991 US8742158, EX. 40

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)nc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=DAHWRZGCASRPDQ-SLHMGVEVNA-N

Data: 1 IC50

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 = 122991   
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)
BDBM122991
PNG
(US8742158, EX. 40)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)nc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)28-15-13-26(34)14-16-28)27(21-39)9-6-7-17-35-32(41)30(18-24-8-4-5-10-29(24)33)37-31(40)25-12-11-23(3)36-19-25/h4-5,8,10-16,19,22,27,30,39H,6-7,9,17-18,20-21,34H2,1-3H3,(H,35,41)(H,37,40)/t27-,30-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.567n/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