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Compile Data Set for Download or QSAR

Found 983 hits with Last Name = 'zack' and Initial = 'd'   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17744
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)
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n/an/a 0.600n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17744
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17734
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C33H38N6O5/c1-22-8-7-9-23(2)31(22)44-33(40)39(27-13-11-25(41-4)21-29(27)43-6)30-14-15-34-32(36-30)35-24-10-12-26(28(20-24)42-5)38-18-16-37(3)17-19-38/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17730
PNG
(2,6-dimethylphenyl N-[(2,5-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
Show InChI InChI=1S/C33H38N6O4/c1-23-7-6-8-24(2)31(23)43-33(40)39(22-25-21-28(41-4)13-14-29(25)42-5)30-15-16-34-32(36-30)35-26-9-11-27(12-10-26)38-19-17-37(3)18-20-38/h6-16,21H,17-20,22H2,1-5H3,(H,34,35,36)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17728
PNG
(2,6-dimethylphenyl N-[4-fluoro-2-(propan-2-yloxy)p...)
Show SMILES CC(C)Oc1cc(F)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C33H37FN6O3/c1-22(2)42-29-21-25(34)9-14-28(29)40(33(41)43-31-23(3)7-6-8-24(31)4)30-15-16-35-32(37-30)36-26-10-12-27(13-11-26)39-19-17-38(5)18-20-39/h6-16,21-22H,17-20H2,1-5H3,(H,35,36,37)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17726
PNG
(2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-8-7-9-23(2)29(22)40-31(38)37(26-10-5-6-11-27(26)39-4)28-16-17-32-30(34-28)33-24-12-14-25(15-13-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17735
PNG
(2,6-dimethylphenyl N-(2-{[3,5-dimethoxy-4-(4-methy...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H40N6O6/c1-22-9-8-10-23(2)32(22)46-34(41)40(26-12-11-25(42-4)21-27(26)43-5)30-13-14-35-33(37-30)36-24-19-28(44-6)31(29(20-24)45-7)39-17-15-38(3)16-18-39/h8-14,19-21H,15-18H2,1-7H3,(H,35,36,37)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17737
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C31H35N5O5/c1-21-8-7-9-22(2)29(21)41-31(37)36(26-15-14-25(38-5)20-27(26)39-6)28-16-17-32-30(34-28)33-23-10-12-24(13-11-23)40-19-18-35(3)4/h7-17,20H,18-19H2,1-6H3,(H,32,33,34)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17738
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17739
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H39FN6O5/c1-23-7-6-8-24(2)32(23)46-34(42)41(28-11-10-26(43-4)22-30(28)44-5)31-13-14-36-33(38-31)37-25-9-12-29(27(35)21-25)45-20-19-40-17-15-39(3)16-18-40/h6-14,21-22H,15-20H2,1-5H3,(H,36,37,38)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17740
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O7/c1-24-9-8-10-25(2)33(24)49-36(43)42(28-12-11-27(44-4)23-29(28)45-5)32-13-14-37-35(39-32)38-26-21-30(46-6)34(31(22-26)47-7)48-20-19-41-17-15-40(3)16-18-41/h8-14,21-23H,15-20H2,1-7H3,(H,37,38,39)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17742
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O5/c1-25-10-8-11-26(2)33(25)45-35(41)40(30-17-16-29(42-3)24-31(30)43-4)32-18-19-36-34(38-32)37-27-12-14-28(15-13-27)44-23-9-22-39-20-6-5-7-21-39/h8,10-19,24H,5-7,9,20-23H2,1-4H3,(H,36,37,38)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17743
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17745
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41FN6O5/c1-24-8-6-9-25(2)33(24)47-35(43)42(29-12-11-27(44-4)23-31(29)45-5)32-14-15-37-34(39-32)38-26-10-13-30(28(36)22-26)46-21-7-16-41-19-17-40(3)18-20-41/h6,8-15,22-23H,7,16-21H2,1-5H3,(H,37,38,39)
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n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17730
PNG
(2,6-dimethylphenyl N-[(2,5-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
Show InChI InChI=1S/C33H38N6O4/c1-23-7-6-8-24(2)31(23)43-33(40)39(22-25-21-28(41-4)13-14-29(25)42-5)30-15-16-34-32(36-30)35-26-9-11-27(12-10-26)38-19-17-37(3)18-20-38/h6-16,21H,17-20,22H2,1-5H3,(H,34,35,36)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17735
PNG
(2,6-dimethylphenyl N-(2-{[3,5-dimethoxy-4-(4-methy...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C34H40N6O6/c1-22-9-8-10-23(2)32(22)46-34(41)40(26-12-11-25(42-4)21-27(26)43-5)30-13-14-35-33(37-30)36-24-19-28(44-6)31(29(20-24)45-7)39-17-15-38(3)16-18-39/h8-14,19-21H,15-18H2,1-7H3,(H,35,36,37)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17740
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(4-me...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O7/c1-24-9-8-10-25(2)33(24)49-36(43)42(28-12-11-27(44-4)23-29(28)45-5)32-13-14-37-35(39-32)38-26-21-30(46-6)34(31(22-26)47-7)48-20-19-41-17-15-40(3)16-18-41/h8-14,21-23H,15-20H2,1-7H3,(H,37,38,39)
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n/an/a 1n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637195
PNG
(US20230382904, Compound 115)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637184
PNG
(US20230382904, Compound 104)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@@H]2CCOC2)c2nc(N)nn2c1)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637157
PNG
(US20230382904, Compound 77)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@@H](C)CO)c2nc(N)nn2c1)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17743
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C36H44N6O6/c1-25-9-7-10-26(2)34(25)48-36(43)42(29-13-12-28(44-4)24-31(29)45-5)33-15-16-37-35(39-33)38-27-11-14-30(32(23-27)46-6)47-22-8-17-41-20-18-40(3)19-21-41/h7,9-16,23-24H,8,17-22H2,1-6H3,(H,37,38,39)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17741
PNG
(2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[2-(morp...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H41N5O8/c1-23-8-7-9-24(2)32(23)48-35(41)40(27-11-10-26(42-3)22-28(27)43-4)31-12-13-36-34(38-31)37-25-20-29(44-5)33(30(21-25)45-6)47-19-16-39-14-17-46-18-15-39/h7-13,20-22H,14-19H2,1-6H3,(H,36,37,38)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17736
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C32H35FN6O4/c1-21-7-6-8-22(2)30(21)43-32(40)39(27-12-10-24(41-4)20-28(27)42-5)29-13-14-34-31(36-29)35-23-9-11-26(25(33)19-23)38-17-15-37(3)16-18-38/h6-14,19-20H,15-18H2,1-5H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17729
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1
Show InChI InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)
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n/an/a 2n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17734
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
Show InChI InChI=1S/C33H38N6O5/c1-22-8-7-9-23(2)31(22)44-33(40)39(27-13-11-25(41-4)21-29(27)43-6)30-14-15-34-32(36-30)35-24-10-12-26(28(20-24)42-5)38-18-16-37(3)17-19-38/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17746
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)n2)c(OC)c1
Show InChI InChI=1S/C35H40FN5O5/c1-24-10-8-11-25(2)33(24)46-35(42)41(29-14-13-27(43-3)23-31(29)44-4)32-16-17-37-34(39-32)38-26-12-15-30(28(36)22-26)45-21-9-20-40-18-6-5-7-19-40/h8,10-17,22-23H,5-7,9,18-21H2,1-4H3,(H,37,38,39)
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n/an/a 2n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637196
PNG
(US20230382904, Compound 116)
Show SMILES CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637109
PNG
(US20230382904, Compound 29 | US20230382904, Compou...)
Show SMILES C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637108
PNG
(US20230382904, Compound 28 | US20230382904, Compou...)
Show SMILES C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637109
PNG
(US20230382904, Compound 29 | US20230382904, Compou...)
Show SMILES C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637203
PNG
(US20230382904, Compound 123)
Show SMILES CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1(CCCC1)c1ccc(F)cc1
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637244
PNG
(US20230382904, Compound 159)
Show SMILES CC[C@H](C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17727
PNG
(2,6-dimethylphenyl N-(4-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccc(cc1)N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-6-5-7-23(2)29(22)40-31(38)37(26-12-14-27(39-4)15-13-26)28-16-17-32-30(34-28)33-24-8-10-25(11-9-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637168
PNG
(US20230382904, Compound 88)
Show SMILES CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637192
PNG
(2-Amino-N-[(2S)-butan-2-yl]-6-(5-{[(1S)-1-(4-fluor...)
Show SMILES CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637171
PNG
(US20230382904, Compound 91)
Show SMILES COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637108
PNG
(US20230382904, Compound 28 | US20230382904, Compou...)
Show SMILES C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637247
PNG
(US20230382904, Compound 162)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)n2nc(N)nc2c1)c1ccc(F)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637169
PNG
(US20230382904, Compound 89)
Show SMILES CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccccc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17737
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C31H35N5O5/c1-21-8-7-9-22(2)29(21)41-31(37)36(26-15-14-25(38-5)20-27(26)39-6)28-16-17-32-30(34-28)33-23-10-12-24(13-11-23)40-19-18-35(3)4/h7-17,20H,18-19H2,1-6H3,(H,32,33,34)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17738
PNG
(2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-({...)
Show SMILES COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
Show InChI InChI=1S/C32H37N5O5/c1-22-9-7-10-23(2)30(22)42-32(38)37(27-16-15-26(39-5)21-28(27)40-6)29-17-18-33-31(35-29)34-24-11-13-25(14-12-24)41-20-8-19-36(3)4/h7,9-18,21H,8,19-20H2,1-6H3,(H,33,34,35)
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Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM17726
PNG
(2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4...)
Show SMILES COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C31H34N6O3/c1-22-8-7-9-23(2)29(22)40-31(38)37(26-10-5-6-11-27(26)39-4)28-16-17-32-30(34-28)33-24-12-14-25(15-13-24)36-20-18-35(3)19-21-36/h5-17H,18-21H2,1-4H3,(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 4n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 49: 4981-91 (2006)


Article DOI: 10.1021/jm060435i
BindingDB Entry DOI: 10.7270/Q2SB440C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50374627
PNG
(CHEMBL270692)
Show SMILES COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H27N7O3/c1-16-9-8-10-17(2)23(16)32-27-31-19-11-6-7-12-20(19)34(27)26-29-15-28-25(33-26)30-18-13-21(35-3)24(37-5)22(14-18)36-4/h6-15H,1-5H3,(H,31,32)(H,28,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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UniChem

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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637188
PNG
(US20230382904, Compound 108)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637237
PNG
(US20230382904, Compound 152)
Show SMILES CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)n2nc(N)nc2c1)c1ccccc1 |r|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637218
PNG
(US20230382904, Compound 138)
Show SMILES CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccc(F)cc1 |r|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637240
PNG
(US20230382904, Compound 155)
Show SMILES COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)n2nc(N)nc2c1)c1ccccc1 |r|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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