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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 6638   
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))
BDBM142607
PNG
(US8933228, 14)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ncccc12)C(C)(C)C
Show InChI InChI=1S/C30H28N8O4/c1-30(2,3)23-16-24(38(37-23)17-7-9-18(41-4)10-8-17)34-28(39)33-20-11-12-21(25-19(20)6-5-14-31-25)42-22-13-15-32-27-26(22)35-29(40)36-27/h5-16H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142602
PNG
(US8933228, 4)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ncccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H26N8O3/c1-29(2,3)22-16-23(37(36-22)17-8-5-4-6-9-17)33-27(38)32-19-11-12-20(24-18(19)10-7-14-30-24)40-21-13-15-31-26-25(21)34-28(39)35-26/h4-16H,1-3H3,(H2,32,33,38)(H2,31,34,35,39)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142601
PNG
(US8933228, 3)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142627
PNG
(US8933228, 19)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c(Cl)c2Cl)n(n1)-c1ccc(CO)cc1
Show InChI InChI=1S/C28H25Cl2N7O4/c1-28(2,3)20-12-21(37(36-20)16-6-4-15(14-38)5-7-16)34-27(40)33-17-8-9-18(24(30)23(17)29)41-19-10-11-31-26-25(19)32-13-22(39)35-26/h4-13,38H,14H2,1-3H3,(H,31,35,39)(H2,33,34,40)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142603
PNG
(US8933228, 5)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H27N7O3/c1-31(2,3)25-17-26(38(37-25)19-9-5-4-6-10-19)35-30(40)34-22-13-14-23(21-12-8-7-11-20(21)22)41-24-15-16-32-29-28(24)33-18-27(39)36-29/h4-18H,1-3H3,(H,32,36,39)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142607
PNG
(US8933228, 14)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ncccc12)C(C)(C)C
Show InChI InChI=1S/C30H28N8O4/c1-30(2,3)23-16-24(38(37-23)17-7-9-18(41-4)10-8-17)34-28(39)33-20-11-12-21(25-19(20)6-5-14-31-25)42-22-13-15-32-27-26(22)35-29(40)36-27/h5-16H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142620
PNG
(US8933228, 11)
Show SMILES CCn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C33H33N7O4/c1-6-39-29-26(17-18-34-30(29)37-32(39)42)44-25-16-15-24(22-9-7-8-10-23(22)25)35-31(41)36-28-19-27(33(2,3)4)38-40(28)20-11-13-21(43-5)14-12-20/h7-19H,6H2,1-5H3,(H,34,37,42)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142618
PNG
(US8933228, 9)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H29N7O4/c1-31(2,3)25-17-26(38(37-25)18-9-11-19(41-4)12-10-18)34-29(39)33-22-13-14-23(21-8-6-5-7-20(21)22)42-24-15-16-32-28-27(24)35-30(40)36-28/h5-17H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142601
PNG
(US8933228, 3)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142600
PNG
(US8933228, 2)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H27N7O3/c1-30(2,3)24-17-25(37(36-24)18-9-5-4-6-10-18)33-28(38)32-21-13-14-22(20-12-8-7-11-19(20)21)40-23-15-16-31-27-26(23)34-29(39)35-27/h4-17H,1-3H3,(H2,32,33,38)(H2,31,34,35,39)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142599
PNG
(US8933228, 1)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H29N7O3/c1-18-9-11-19(12-10-18)38-26(17-25(37-38)31(2,3)4)34-29(39)33-22-13-14-23(21-8-6-5-7-20(21)22)41-24-15-16-32-28-27(24)35-30(40)36-28/h5-17H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142614
PNG
(US8933228, 30)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C31H27N7O3/c1-18(2)24-16-27(38(37-24)20-10-8-19(3)9-11-20)35-31(40)34-23-12-13-25(22-7-5-4-6-21(22)23)41-26-14-15-32-30-29(26)33-17-28(39)36-30/h4-18H,1-3H3,(H,32,36,39)(H2,34,35,40)
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US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142612
PNG
(US8933228, 28)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1CC1
Show InChI InChI=1S/C31H25N7O3/c1-18-6-10-20(11-7-18)38-27(16-24(37-38)19-8-9-19)35-31(40)34-23-12-13-25(22-5-3-2-4-21(22)23)41-26-14-15-32-30-29(26)33-17-28(39)36-30/h2-7,10-17,19H,8-9H2,1H3,(H,32,36,39)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142629
PNG
(US8933228, 21)
Show SMILES Cc1ccc(s1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H27N7O3S/c1-17-9-12-26(41-17)37-24(15-23(36-37)30(2,3)4)34-29(39)33-20-10-11-21(19-8-6-5-7-18(19)20)40-22-13-14-31-28-27(22)32-16-25(38)35-28/h5-16H,1-4H3,(H,31,35,38)(H2,33,34,39)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142610
PNG
(US8933228, 26)
Show SMILES CNS(=O)(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H32N8O5S/c1-33(2,3)27-17-28(41(40-27)21-11-9-20(10-12-21)19-47(44,45)34-4)38-32(43)37-24-13-14-25(23-8-6-5-7-22(23)24)46-26-15-16-35-31-30(26)36-18-29(42)39-31/h5-18,34H,19H2,1-4H3,(H,35,39,42)(H2,37,38,43)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142615
PNG
(US8933228, 31)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H29N7O5S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(12-10-19)45(4,42)43)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)44-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142605
PNG
(US8933228, 7)
Show SMILES Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C32H29N7O3/c1-19-30(40)37-29-28(34-19)25(16-17-33-29)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142629
PNG
(US8933228, 21)
Show SMILES Cc1ccc(s1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H27N7O3S/c1-17-9-12-26(41-17)37-24(15-23(36-37)30(2,3)4)34-29(39)33-20-10-11-21(19-8-6-5-7-18(19)20)40-22-13-14-31-28-27(22)32-16-25(38)35-28/h5-16H,1-4H3,(H,31,35,38)(H2,33,34,39)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142619
PNG
(US8933228, 10)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O4/c1-32(2,3)26-18-27(39(37-26)19-10-12-20(42-5)13-11-19)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)43-25-16-17-33-29-28(25)38(4)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142604
PNG
(US8933228, 6)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3/c1-19-9-11-20(12-10-19)39-27(17-26(38-39)32(2,3)4)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142604
PNG
(US8933228, 6)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3/c1-19-9-11-20(12-10-19)39-27(17-26(38-39)32(2,3)4)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142603
PNG
(US8933228, 5)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H27N7O3/c1-31(2,3)25-17-26(38(37-25)19-9-5-4-6-10-19)35-30(40)34-22-13-14-23(21-12-8-7-11-20(21)22)41-24-15-16-32-29-28(24)33-18-27(39)36-29/h4-18H,1-3H3,(H,32,36,39)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142611
PNG
(US8933228, 27)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H26ClN7O3/c1-31(2,3)25-16-26(39(38-25)19-10-8-18(32)9-11-19)36-30(41)35-22-12-13-23(21-7-5-4-6-20(21)22)42-24-14-15-33-29-28(24)34-17-27(40)37-29/h4-17H,1-3H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142605
PNG
(US8933228, 7)
Show SMILES Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C32H29N7O3/c1-19-30(40)37-29-28(34-19)25(16-17-33-29)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142628
PNG
(US8933228, 20)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(CO)nc1
Show InChI InChI=1S/C31H28N8O4/c1-31(2,3)25-14-26(39(38-25)19-9-8-18(17-40)33-15-19)36-30(42)35-22-10-11-23(21-7-5-4-6-20(21)22)43-24-12-13-32-29-28(24)34-16-27(41)37-29/h4-16,40H,17H2,1-3H3,(H,32,37,41)(H2,35,36,42)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142613
PNG
(US8933228, 29)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1(C)CC1
Show InChI InChI=1S/C32H27N7O3/c1-19-7-9-20(10-8-19)39-27(17-26(38-39)32(2)14-15-32)36-31(41)35-23-11-12-24(22-6-4-3-5-21(22)23)42-25-13-16-33-30-29(25)34-18-28(40)37-30/h3-13,16-18H,14-15H2,1-2H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142624
PNG
(US8933228, 16)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C31H27N7O4/c1-31(2,3)25-16-26(38(37-25)18-8-10-19(39)11-9-18)35-30(41)34-22-12-13-23(21-7-5-4-6-20(21)22)42-24-14-15-32-29-28(24)33-17-27(40)36-29/h4-17,39H,1-3H3,(H,32,36,40)(H2,34,35,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142627
PNG
(US8933228, 19)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c(Cl)c2Cl)n(n1)-c1ccc(CO)cc1
Show InChI InChI=1S/C28H25Cl2N7O4/c1-28(2,3)20-12-21(37(36-20)16-6-4-15(14-38)5-7-16)34-27(40)33-17-8-9-18(24(30)23(17)29)41-19-10-11-31-26-25(19)32-13-22(39)35-26/h4-13,38H,14H2,1-3H3,(H,31,35,39)(H2,33,34,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142601
PNG
(US8933228, 3)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142614
PNG
(US8933228, 30)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C31H27N7O3/c1-18(2)24-16-27(38(37-24)20-10-8-19(3)9-11-20)35-31(40)34-23-12-13-25(22-7-5-4-6-21(22)23)41-26-14-15-32-30-29(26)33-17-28(39)36-30/h4-18H,1-3H3,(H,32,36,39)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142616
PNG
(US8933228, 32)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H25Cl2N7O3/c1-31(2,3)25-15-26(40(39-25)17-8-9-20(32)21(33)14-17)37-30(42)36-22-10-11-23(19-7-5-4-6-18(19)22)43-24-12-13-34-29-28(24)35-16-27(41)38-29/h4-16H,1-3H3,(H,34,38,41)(H2,36,37,42)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142616
PNG
(US8933228, 32)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H25Cl2N7O3/c1-31(2,3)25-15-26(40(39-25)17-8-9-20(32)21(33)14-17)37-30(42)36-22-10-11-23(19-7-5-4-6-18(19)22)43-24-12-13-34-29-28(24)35-16-27(41)38-29/h4-16H,1-3H3,(H,34,38,41)(H2,36,37,42)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142609
PNG
(US8933228, 22 | US8933228, 25)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O4/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(42-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)43-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142622
PNG
(US8933228, 13)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C28H27Cl2N7O4/c1-28(2,3)20-14-21(37(35-20)15-6-8-16(40-5)9-7-15)33-26(38)32-17-10-11-18(23(30)22(17)29)41-19-12-13-31-25-24(19)36(4)27(39)34-25/h6-14H,1-5H3,(H,31,34,39)(H2,32,33,38)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142609
PNG
(US8933228, 22 | US8933228, 25)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O4/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(42-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)43-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142608
PNG
(US8933228, 24)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H30N8O4/c1-31(2,3)24-16-25(39(37-24)18-10-13-26(42-5)33-17-18)35-29(40)34-21-11-12-22(20-9-7-6-8-19(20)21)43-23-14-15-32-28-27(23)38(4)30(41)36-28/h6-17H,1-5H3,(H,32,36,41)(H2,34,35,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142626
PNG
(US8933228, 18)
Show SMILES COc1cc(ccc1CO)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O5/c1-33(2,3)27-16-28(40(39-27)20-10-9-19(18-41)26(15-20)44-4)37-32(43)36-23-11-12-24(22-8-6-5-7-21(22)23)45-25-13-14-34-31-30(25)35-17-29(42)38-31/h5-17,41H,18H2,1-4H3,(H,34,38,42)(H2,36,37,43)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142620
PNG
(US8933228, 11)
Show SMILES CCn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C33H33N7O4/c1-6-39-29-26(17-18-34-30(29)37-32(39)42)44-25-16-15-24(22-9-7-8-10-23(22)25)35-31(41)36-28-19-27(33(2,3)4)38-40(28)20-11-13-21(43-5)14-12-20/h7-19H,6H2,1-5H3,(H,34,37,42)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142606
PNG
(US8933228, 8)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c(C)nc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O3/c1-19-10-12-21(13-11-19)40-28(18-27(39-40)33(3,4)5)37-32(42)36-24-14-15-25(23-9-7-6-8-22(23)24)43-26-16-17-34-30-29(26)35-20(2)31(41)38-30/h6-18H,1-5H3,(H,34,38,41)(H2,36,37,42)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142615
PNG
(US8933228, 31)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H29N7O5S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(12-10-19)45(4,42)43)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)44-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142613
PNG
(US8933228, 29)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1(C)CC1
Show InChI InChI=1S/C32H27N7O3/c1-19-7-9-20(10-8-19)39-27(17-26(38-39)32(2)14-15-32)36-31(41)35-23-11-12-24(22-6-4-3-5-21(22)23)42-25-13-16-33-30-29(25)34-18-28(40)37-30/h3-13,16-18H,14-15H2,1-2H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142626
PNG
(US8933228, 18)
Show SMILES COc1cc(ccc1CO)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O5/c1-33(2,3)27-16-28(40(39-27)20-10-9-19(18-41)26(15-20)44-4)37-32(43)36-23-11-12-24(22-8-6-5-7-21(22)23)45-25-13-14-34-31-30(25)35-17-29(42)38-31/h5-17,41H,18H2,1-4H3,(H,34,38,42)(H2,36,37,43)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142607
PNG
(US8933228, 14)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ncccc12)C(C)(C)C
Show InChI InChI=1S/C30H28N8O4/c1-30(2,3)23-16-24(38(37-23)17-7-9-18(41-4)10-8-17)34-28(39)33-20-11-12-21(25-19(20)6-5-14-31-25)42-22-13-15-32-27-26(22)35-29(40)36-27/h5-16H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142597
PNG
(US8933228, Ref 1)
Show SMILES COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142600
PNG
(US8933228, 2)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H27N7O3/c1-30(2,3)24-17-25(37(36-24)18-9-5-4-6-10-18)33-28(38)32-21-13-14-22(20-12-8-7-11-19(20)21)40-23-15-16-31-27-26(23)34-29(39)35-27/h4-17H,1-3H3,(H2,32,33,38)(H2,31,34,35,39)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142622
PNG
(US8933228, 13)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C28H27Cl2N7O4/c1-28(2,3)20-14-21(37(35-20)15-6-8-16(40-5)9-7-15)33-26(38)32-17-10-11-18(23(30)22(17)29)41-19-12-13-31-25-24(19)36(4)27(39)34-25/h6-14H,1-5H3,(H,31,34,39)(H2,32,33,38)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
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