new BindingDB logo
myBDB logout

BDBM50170904 CHEMBL3805505

SMILES: CCCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12

InChI Key: InChIKey=QWLGKFALYULFFS-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 50170904   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50170904
PNG
(CHEMBL3805505)
Show SMILES CCCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12
Show InChI InChI=1/C17H22N2O4/c1-2-3-4-5-8-11-18-15(20)14-12-9-6-7-10-13(12)16(21)19(23)17(14)22/h6-7,9-10,14,23H,2-5,8,11H2,1H3,(H,18,20)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 860n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50170904
PNG
(CHEMBL3805505)
Show SMILES CCCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12
Show InChI InChI=1/C17H22N2O4/c1-2-3-4-5-8-11-18-15(20)14-12-9-6-7-10-13(12)16(21)19(23)17(14)22/h6-7,9-10,14,23H,2-5,8,11H2,1H3,(H,18,20)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair