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BDBM98672 US8497270, 35

SMILES: COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=YXGQKWXSHVOXAQ-UHFFFAOYSA-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 = 98672   
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
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98672
PNG
(US8497270, 35)
Show SMILES COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H13BrN2O5S/c1-10-5-7-11(8-6-10)26(22,23)25-15-13-12(4-3-9-19-13)16(18)20-14(15)17(21)24-2/h3-9H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair