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Patent code US9303005

Compile Data Set for Download or QSAR
Found 4 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
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM215796
PNG
(US9303005, TF)
Show SMILES Cc1ccc(N\C=C2\c3oc4c(Cl)c(Cl)c(O)cc4c3CCC2=O)cc1
Show InChI InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 30n/an/an/an/an/an/a



TBA

US Patent


Assay Description
IC50 values were obtained from capillary electrophoretic inhibition test.

US Patent US9303005 (2016)


BindingDB Entry DOI: 10.7270/Q2S181CG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM215797
PNG
(US9303005, Ric151)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-c1oc2c(Cl)c(Cl)c(-[#8])c(C#N)c2c1-[#7]
Show InChI InChI=1S/C14H10Cl2N2O3/c1-5(2)3-7(19)13-11(18)8-6(4-17)12(20)9(15)10(16)14(8)21-13/h3,20H,18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



TBA

US Patent


Assay Description
IC50 values were obtained from capillary electrophoretic inhibition test.

US Patent US9303005 (2016)


BindingDB Entry DOI: 10.7270/Q2S181CG
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM215798
PNG
(US9303005, Ric152)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-c1oc2c(Cl)c(Cl)c(-[#8]-[#6](-[#6])=O)c(C#N)c2c1-[#7]
Show InChI InChI=1S/C16H12Cl2N2O4/c1-6(2)4-9(22)15-13(20)10-8(5-19)14(23-7(3)21)11(17)12(18)16(10)24-15/h4H,20H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



TBA

US Patent


Assay Description
IC50 values were obtained from capillary electrophoretic inhibition test.

US Patent US9303005 (2016)


BindingDB Entry DOI: 10.7270/Q2S181CG
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))		BDBM215799
PNG
(US9303005, Ric138)
Show SMILES CCOC(=O)c1oc2c(Cl)c(Cl)c(OC(C)=O)c(C#N)c2c1N
Show InChI InChI=1S/C14H10Cl2N2O5/c1-3-21-14(20)13-10(18)7-6(4-17)11(22-5(2)19)8(15)9(16)12(7)23-13/h3,18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
IC50 values were obtained from capillary electrophoretic inhibition test.

US Patent US9303005 (2016)


BindingDB Entry DOI: 10.7270/Q2S181CG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%