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SMILES: COc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OC

InChI Key: InChIKey=KGXXWSYHMXIUDE-WTKPLQERSA-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 2 hits for monomerid = 50477985   
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)
BDBM50477985
PNG
(CHEMBL412149)
Show SMILES COc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OC |c:8|
Show InChI InChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6H,1-3H3,(H,16,17,19,20)/b9-4-
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
Integrase


(Human immunodeficiency virus 1)
BDBM50477985
PNG
(CHEMBL412149)
Show SMILES COc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OC |c:8|
Show InChI InChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6H,1-3H3,(H,16,17,19,20)/b9-4-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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