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Patent code US8802721

Compile Data Set for Download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Interleukin-2


(Homo sapiens (Human))
BDBM128384
PNG
(US8802721, 1)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H9ClF5NOS/c19-11-5-4-9(18(22,23)24)8-10(11)14-6-7-15(27-14)17(26)25-16-12(20)2-1-3-13(16)21/h1-8H,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128386
PNG
(US8802721, 3)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-11-6-7-12(20(25)26-2)10-13(11)16-8-9-17(27-16)19(24)23-18-14(21)4-3-5-15(18)22/h3-10H,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128385
PNG
(US8802721, 2)
Show SMILES Cc1cnccc1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H12ClF3N2OS/c1-10-9-23-7-6-14(10)24-17(25)16-5-4-15(26-16)12-8-11(18(20,21)22)2-3-13(12)19/h2-9H,1H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128388
PNG
(US8802721, 117)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H10F5NOS/c19-12-5-2-6-13(20)16(12)17(25)24-15-8-7-14(26-15)10-3-1-4-11(9-10)18(21,22)23/h1-9H,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.5n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128387
PNG
(US8802721, 4)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1ccncc1C
Show InChI InChI=1S/C20H18N2O3S/c1-12-4-5-14(20(24)25-3)10-15(12)17-6-7-18(26-17)19(23)22-16-8-9-21-11-13(16)2/h4-11H,1-3H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58.5n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128391
PNG
(US8802721, 120)
Show SMILES COC(=O)c1cccc(c1)-c1sc(NC(=O)c2c(F)cccc2F)cc1C
Show InChI InChI=1S/C20H15F2NO3S/c1-11-9-16(23-19(24)17-14(21)7-4-8-15(17)22)27-18(11)12-5-3-6-13(10-12)20(25)26-2/h3-10H,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 87n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128390
PNG
(US8802721, 119)
Show SMILES Cc1ccc(cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1)-c1ncco1
Show InChI InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 94.8n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128389
PNG
(US8802721, 118)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(NC(=O)c2c(F)cccc2F)s1
Show InChI InChI=1S/C20H15F2NO3S/c1-11-6-7-12(20(25)26-2)10-13(11)16-8-9-17(27-16)23-19(24)18-14(21)4-3-5-15(18)22/h3-10H,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 104n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM128392
PNG
(US8802721, 121)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)-c1cnco1
Show InChI InChI=1S/C20H12F2N2O2S/c21-14-5-2-6-15(22)19(14)20(25)24-18-8-7-17(27-18)13-4-1-3-12(9-13)16-10-23-11-26-16/h1-11H,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 164n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)


BindingDB Entry DOI: 10.7270/Q2CN72M4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%