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SMILES: CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OCC

InChI Key: InChIKey=GRDZVCWWMQAQNS-WDZFZDKYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50477992   
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)
BDBM50477992
PNG
(CHEMBL429327)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OCC |c:9|
Show InChI InChI=1S/C16H17ClN6O3/c1-4-25-13-8-10(7-12(17)14(13)26-5-2)6-11-9(3)20-23(15(11)24)16-18-21-22-19-16/h6-8H,4-5H2,1-3H3,(H,18,19,21,22)/b11-6-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477992
PNG
(CHEMBL429327)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OCC |c:9|
Show InChI InChI=1S/C16H17ClN6O3/c1-4-25-13-8-10(7-12(17)14(13)26-5-2)6-11-9(3)20-23(15(11)24)16-18-21-22-19-16/h6-8H,4-5H2,1-3H3,(H,18,19,21,22)/b11-6-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair