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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50029214   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50029214
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-9-6-15(14-20(19)23)7-10-21(24)25-12-11-16-5-8-17-3-1-2-4-18(17)13-16/h1-10,13-14,22-23H,11-12H2/b10-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.37E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50029214
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-9-6-15(14-20(19)23)7-10-21(24)25-12-11-16-5-8-17-3-1-2-4-18(17)13-16/h1-10,13-14,22-23H,11-12H2/b10-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair