BindingDB logo
myBDB logout

null

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OCc1ccncc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=CMSGJOQRFPTYLP-FIBWVYCGSA-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 = 122995   
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)		BDBM122995
PNG
(US8742158, EX 38)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OCc1ccncc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H42BrN5O6S/c1-23(2)20-38(45(42,43)28-12-10-26(34)11-13-28)27(21-39)8-5-6-16-36-31(40)30(19-25-7-3-4-9-29(25)33)37-32(41)44-22-24-14-17-35-18-15-24/h3-4,7,9-15,17-18,23,27,30,39H,5-6,8,16,19-22,34H2,1-2H3,(H,36,40)(H,37,41)/t27-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.920n/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