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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50176115'   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50176115
PNG
((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...)
Show SMILES COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50176115
PNG
((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...)
Show SMILES COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50176115
PNG
((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...)
Show SMILES COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.16E+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