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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 6995   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 1.30n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 2.10n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 2.30n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 3.70n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 4.30n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 4.40n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 4.60n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 5.10n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 17.7n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 21.6n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 25.2n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 26.1n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50430875
PNG
(CHEMBL2336005 | US9062066, LCB 03-0110)
Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)
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n/an/a 50.7n/an/an/an/a8.0n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...


US Patent US9062066 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K17
More data for this
Ligand-Target Pair