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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50154408   
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)
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 20n/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)
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 30n/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)
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 integrase mediated strand transfer reaction


J Med Chem 47: 5298-310 (2004)


Article DOI: 10.1021/jm049944f
BindingDB Entry DOI: 10.7270/Q2KS6R06
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 8.28E+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 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
Integrase


(Human immunodeficiency virus 1)
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 integrase mediated 3' processing reaction


J Med Chem 47: 5298-310 (2004)


Article DOI: 10.1021/jm049944f
BindingDB Entry DOI: 10.7270/Q2KS6R06
More data for this
Ligand-Target Pair