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Compile Data Set for Download or QSAR

Found 29 hits from Celltech Therapeutics Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083638
PNG
((S)-4-(6-(3-methylpiperazin-1-yl)pyridin-3-yl)-N-(...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@@H](C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083649
PNG
(CHEMBL112518 | {4-[6-(3-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNC(C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)
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n/an/a 26n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083640
PNG
(CHEMBL112172 | [4-(6-[1,4]Diazepan-1-yl-pyridin-3-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-30-19-13-17(14-20(31-2)22(19)32-3)27-23-25-9-7-18(28-23)16-5-6-21(26-15-16)29-11-4-8-24-10-12-29/h5-7,9,13-15,24H,4,8,10-12H2,1-3H3,(H,25,27,28)
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n/an/a 31n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083648
PNG
(CHEMBL420672 | {4-[6-(4-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN(C)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-28-9-11-29(12-10-28)21-6-5-16(15-25-21)18-7-8-24-23(27-18)26-17-13-19(30-2)22(32-4)20(14-17)31-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26,27)
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n/an/a 46n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 54n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a 125n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a 150n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083642
PNG
(CHEMBL419757 | {4-[6-((S)-3-Isopropyl-piperazin-1-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@H](C2)C(C)C)cc(OC)c1OC
Show InChI InChI=1S/C25H32N6O3/c1-16(2)20-15-31(11-10-26-20)23-7-6-17(14-28-23)19-8-9-27-25(30-19)29-18-12-21(32-3)24(34-5)22(13-18)33-4/h6-9,12-14,16,20,26H,10-11,15H2,1-5H3,(H,27,29,30)/t20-/m1/s1
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n/an/a 188n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083650
PNG
(CHEMBL112561 | [4-(3,4,5,6-Tetrahydro-2H-[1,2']bip...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H27N5O3/c1-29-19-13-17(14-20(30-2)22(19)31-3)26-23-24-10-9-18(27-23)16-7-8-21(25-15-16)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26,27)
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n/an/a 332n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083646
PNG
(CHEMBL323755 | {4-[6-((R)-3-Methyl-piperazin-1-yl)...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@H](C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)/t15-/m1/s1
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n/an/a 396n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083645
PNG
(CHEMBL324576 | [4-(6-Morpholin-4-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCOCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H25N5O4/c1-28-18-12-16(13-19(29-2)21(18)30-3)25-22-23-7-6-17(26-22)15-4-5-20(24-14-15)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,26)
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n/an/a 424n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50083643
PNG
((4-Pyridin-3-yl-pyrimidin-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18-20-8-6-14(22-18)12-5-4-7-19-11-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50083643
PNG
((4-Pyridin-3-yl-pyrimidin-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18-20-8-6-14(22-18)12-5-4-7-19-11-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGFr)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083643
PNG
((4-Pyridin-3-yl-pyrimidin-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18-20-8-6-14(22-18)12-5-4-7-19-11-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50083647
PNG
(CHEMBL112623 | {4-[6-(4-Ethyl-piperazin-1-yl)-pyri...)
Show SMILES CCN1CCN(CC1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-29-10-12-30(13-11-29)22-7-6-17(16-26-22)19-8-9-25-24(28-19)27-18-14-20(31-2)23(33-4)21(15-18)32-3/h6-9,14-16H,5,10-13H2,1-4H3,(H,25,27,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGFr)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGFr)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of csk tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50083643
PNG
((4-Pyridin-3-yl-pyrimidin-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18-20-8-6-14(22-18)12-5-4-7-19-11-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGFr)


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of csk tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of csk tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM50083643
PNG
((4-Pyridin-3-yl-pyrimidin-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC
Show InChI InChI=1S/C18H18N4O3/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18-20-8-6-14(22-18)12-5-4-7-19-11-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of csk tyrosine kinase


Bioorg Med Chem Lett 9: 3351-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00615-0
BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair