BindingDB logo
myBDB logout

BDBM122992 US8742158, EX. 43

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NCC(C)N=C1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=MCCDIFLUKQLVFZ-SHJBXGHRNA-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 = 122992   
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)
BDBM122992
PNG
(US8742158, EX. 43)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NCC(C)N=C1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C31H43BrN6O5S/c1-21(2)19-38(44(42,43)26-13-11-24(33)12-14-26)25(20-39)9-6-7-15-34-30(40)28(16-23-8-4-5-10-27(23)32)37-31(41)29-18-35-22(3)17-36-29/h4-5,8,10-14,18,21-22,25,28,39H,6-7,9,15-17,19-20,33H2,1-3H3,(H,34,40)(H,37,41)/t22?,25-,28-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.836n/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