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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50176120   
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)
BDBM50176120
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19NO4/c1-2-26-21(25)20(24)12-19(23)17-14-22(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14H,2,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50176120
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19NO4/c1-2-26-21(25)20(24)12-19(23)17-14-22(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14H,2,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the HIV-1 integrase strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50176120
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19NO4/c1-2-26-21(25)20(24)12-19(23)17-14-22(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14H,2,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>2.86E+5n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair