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Compile Data Set for Download or QSAR

Found 8 hits from Elanco Animal Health Ireland Limited   
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
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98672
PNG
(US8497270, 35)
Show SMILES COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H13BrN2O5S/c1-10-5-7-11(8-6-10)26(22,23)25-15-13-12(4-3-9-19-13)16(18)20-14(15)17(21)24-2/h3-9H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 200n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98668
PNG
(US8497270, 29)
Show SMILES CNS(=O)(=O)CCCCN=[N]#N
Show InChI InChI=1S/C5H12N4O2S/c1-7-12(10,11)5-3-2-4-8-9-6/h7H,2-5H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 250n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98669
PNG
(US8497270, 30)
Show SMILES CNS(=O)(=O)CCCCN
Show InChI InChI=1S/C5H14N2O2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-6H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 360n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98665
PNG
(US8497270, 24)
Show SMILES COC(=O)c1nc(Br)c2cccnc2c1OCc1ccccc1
Show InChI InChI=1S/C17H13BrN2O3/c1-22-17(21)14-15(23-10-11-6-3-2-4-7-11)13-12(16(18)20-14)8-5-9-19-13/h2-9H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 950n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98667
PNG
(US8497270, 28)
Show SMILES CNS(=O)(=O)CCCCCl
Show InChI InChI=1S/C5H12ClNO2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-5H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.00E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98670
PNG
(US8497270, 31)
Show SMILES CNS(=O)(=O)CCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C10H22N2O4S/c1-10(2,3)16-9(13)12-7-5-6-8-17(14,15)11-4/h11H,5-8H2,1-4H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.20E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98671
PNG
(US8497270, 32)
Show SMILES CNS(=O)(=O)CCCCC#N
Show InChI InChI=1S/C6H12N2O2S/c1-8-11(9,10)6-4-2-3-5-7/h8H,2-4,6H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60E+3n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM98666
PNG
(US8497270, 25)
Show SMILES CCOC(=O)c1cc(F)ccc1C#N
Show InChI InChI=1S/C10H8FNO2/c1-2-14-10(13)9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 6.80E+4n/an/an/an/an/an/a



Elanco Animal Health Ireland Limited

US Patent


Assay Description
Inhibition of HIV integrase.


US Patent US8497270 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0Z9F
More data for this
Ligand-Target Pair