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Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 50044388   
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 SYK


(Homo sapiens (Human))
BDBM50015453
PNG
(CHEMBL3265037)
Show SMILES COc1cc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)ccc1N1CCOCC1
Show InChI InChI=1S/C24H23N7O2/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28)
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n/an/a 0.440n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015454
PNG
(CHEMBL3264995)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C28H23N5O5/c1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)
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n/an/a 0.840n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015447
PNG
(CHEMBL3265031)
Show SMILES CC1(O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(H,27,30)(H,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015460
PNG
(CHEMBL3265001)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2nn[nH]n2)cc1OC
Show InChI InChI=1S/C28H23N9O3/c1-39-23-11-10-21(15-24(23)40-2)30-26-27-29-12-13-37(27)16-22(32-26)18-4-3-5-19(14-18)28(38)31-20-8-6-17(7-9-20)25-33-35-36-34-25/h3-16H,1-2H3,(H,30,32)(H,31,38)(H,33,34,35,36)
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n/an/a 1.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015449
PNG
(CHEMBL3265033)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015459
PNG
(CHEMBL3265000)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(=O)NS(C)(=O)=O)cc1OC
Show InChI InChI=1S/C29H26N6O6S/c1-40-24-12-11-22(16-25(24)41-2)31-26-27-30-13-14-35(27)17-23(33-26)19-5-4-6-20(15-19)28(36)32-21-9-7-18(8-10-21)29(37)34-42(3,38)39/h4-17H,1-3H3,(H,31,33)(H,32,36)(H,34,37)
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n/an/a 2.20n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015439
PNG
(CHEMBL3265024)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCC(=O)Nc3c2)cc1OC
Show InChI InChI=1S/C22H19N5O4/c1-29-18-6-4-14(10-19(18)30-2)24-21-22-23-7-8-27(22)11-16(26-21)13-3-5-17-15(9-13)25-20(28)12-31-17/h3-11H,12H2,1-2H3,(H,24,26)(H,25,28)
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n/an/a 2.30n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015457
PNG
(CHEMBL3264998)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(CC(O)=O)cc2)cc1OC
Show InChI InChI=1S/C29H25N5O5/c1-38-24-11-10-22(16-25(24)39-2)31-27-28-30-12-13-34(28)17-23(33-27)19-4-3-5-20(15-19)29(37)32-21-8-6-18(7-9-21)14-26(35)36/h3-13,15-17H,14H2,1-2H3,(H,31,33)(H,32,37)(H,35,36)
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n/an/a 2.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015425
PNG
(CHEMBL3265016)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cc[nH]c3c2)cc1OC
Show InChI InChI=1S/C22H19N5O2/c1-28-19-6-5-16(12-20(19)29-2)25-21-22-24-9-10-27(22)13-18(26-21)15-4-3-14-7-8-23-17(14)11-15/h3-13,23H,1-2H3,(H,25,26)
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n/an/a 2.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015427
PNG
(CHEMBL3265017)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1OC
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-5-15(10-19(18)29-2)24-20-21-22-7-8-27(21)12-17(25-20)13-3-4-14-11-23-26-16(14)9-13/h3-12H,1-2H3,(H,23,26)(H,24,25)
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n/an/a 3.80n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015450
PNG
(CHEMBL3265034)
Show SMILES C1CC(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28)
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n/an/a 3.80n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015446
PNG
(CHEMBL3265030)
Show SMILES CC1(O)CN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-23(31)13-30(14-23)18-6-4-17(5-7-18)26-21-22-24-8-9-29(22)12-20(27-21)15-2-3-16-11-25-28-19(16)10-15/h2-12,31H,13-14H2,1H3,(H,25,28)(H,26,27)
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n/an/a 3.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015458
PNG
(CHEMBL3264999)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(N)=O)cc1OC
Show InChI InChI=1S/C28H24N6O4/c1-37-23-11-10-21(15-24(23)38-2)31-26-27-30-12-13-34(27)16-22(33-26)18-4-3-5-19(14-18)28(36)32-20-8-6-17(7-9-20)25(29)35/h3-16H,1-2H3,(H2,29,35)(H,31,33)(H,32,36)
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n/an/a 4.30n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015442
PNG
(CHEMBL3265026)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-19-6-4-15(12-20(19)29-2)25-21-22-24-7-9-27(22)13-17(26-21)14-3-5-18-16(11-14)23-8-10-30-18/h3-7,9,11-13,23H,8,10H2,1-2H3,(H,25,26)
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n/an/a 4.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015428
PNG
(CHEMBL3265018)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3c2)cc1OC
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-14(10-19(18)29-2)25-20-21-22-7-8-27(21)11-17(26-20)13-3-5-15-16(9-13)24-12-23-15/h3-12H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 6.30n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015445
PNG
(CHEMBL3265029)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C20H16N6O/c1-27-16-6-4-15(5-7-16)23-19-20-21-8-9-26(20)12-18(24-19)13-2-3-14-11-22-25-17(14)10-13/h2-12H,1H3,(H,22,25)(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015451
PNG
(CHEMBL3265035)
Show SMILES CN(CCO)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C22H21N7O/c1-28(10-11-30)18-6-4-17(5-7-18)25-21-22-23-8-9-29(22)14-20(26-21)15-2-3-16-13-24-27-19(16)12-15/h2-9,12-14,30H,10-11H2,1H3,(H,24,27)(H,25,26)
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n/an/a 7.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a 7.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015444
PNG
(CHEMBL3265028)
Show SMILES COc1cccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C20H16N6O/c1-27-16-4-2-3-15(10-16)23-19-20-21-7-8-26(20)12-18(24-19)13-5-6-14-11-22-25-17(14)9-13/h2-12H,1H3,(H,22,25)(H,23,24)
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n/an/a 8.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015430
PNG
(CHEMBL3265020)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3[nH]ccc3c2)cc1OC
Show InChI InChI=1S/C22H19N5O2/c1-28-19-6-4-16(12-20(19)29-2)25-21-22-24-9-10-27(22)13-18(26-21)14-3-5-17-15(11-14)7-8-23-17/h3-13,23H,1-2H3,(H,25,26)
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n/an/a 8.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015456
PNG
(CHEMBL3264997)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2cccc(c2)C(O)=O)cc1OC
Show InChI InChI=1S/C28H23N5O5/c1-37-23-10-9-21(15-24(23)38-2)30-25-26-29-11-12-33(26)16-22(32-25)17-5-3-6-18(13-17)27(34)31-20-8-4-7-19(14-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)
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n/an/a 8.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015434
PNG
(CHEMBL3265021)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3[nH]ncc3c2)cc1OC
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-15(10-19(18)29-2)24-20-21-22-7-8-27(21)12-17(25-20)13-3-5-16-14(9-13)11-23-26-16/h3-12H,1-2H3,(H,23,26)(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015463
PNG
(CHEMBL3265004)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)cc1OC
Show InChI InChI=1S/C30H25N7O3/c1-39-26-11-10-24(15-27(26)40-2)34-28-29-31-12-13-37(29)18-25(36-28)20-4-3-5-21(14-20)30(38)35-23-8-6-19(7-9-23)22-16-32-33-17-22/h3-18H,1-2H3,(H,32,33)(H,34,36)(H,35,38)
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n/an/a 11n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015435
PNG
(CHEMBL3265022)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cnn(C)c3c2)cc1OC
Show InChI InChI=1S/C22H20N6O2/c1-27-18-10-14(4-5-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-6-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015462
PNG
(CHEMBL3265003)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2cc[nH]n2)cc1OC
Show InChI InChI=1S/C30H25N7O3/c1-39-26-11-10-23(17-27(26)40-2)33-28-29-31-14-15-37(29)18-25(35-28)20-4-3-5-21(16-20)30(38)34-22-8-6-19(7-9-22)24-12-13-32-36-24/h3-18H,1-2H3,(H,32,36)(H,33,35)(H,34,38)
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n/an/a 12n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015429
PNG
(CHEMBL3265019)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3nn[nH]c3c2)cc1OC
Show InChI InChI=1S/C20H17N7O2/c1-28-17-6-4-13(10-18(17)29-2)22-19-20-21-7-8-27(20)11-16(23-19)12-3-5-14-15(9-12)25-26-24-14/h3-11H,1-2H3,(H,22,23)(H,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015455
PNG
(CHEMBL3264996)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cn3ccnc3c(Nc3ccc(OC)c(OC)c3)n2)cc1
Show InChI InChI=1S/C29H25N5O5/c1-37-24-12-11-22(16-25(24)38-2)31-26-27-30-13-14-34(27)17-23(33-26)19-5-4-6-20(15-19)28(35)32-21-9-7-18(8-10-21)29(36)39-3/h4-17H,1-3H3,(H,31,33)(H,32,35)
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n/an/a 15n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015461
PNG
(CHEMBL3265002)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)cc1OC
Show InChI InChI=1S/C30H25N7O3/c1-39-25-11-10-23(17-26(25)40-2)34-28-29-33-14-15-37(29)18-24(36-28)20-4-3-5-21(16-20)30(38)35-22-8-6-19(7-9-22)27-31-12-13-32-27/h3-18H,1-2H3,(H,31,32)(H,34,36)(H,35,38)
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n/an/a 17n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015465
PNG
(CHEMBL3259820)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(cc2)C(N)=O)cc1OC
Show InChI InChI=1S/C21H19N5O3/c1-28-17-8-7-15(11-18(17)29-2)24-20-21-23-9-10-26(21)12-16(25-20)13-3-5-14(6-4-13)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015487
PNG
(CHEMBL3265012)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(C(N)=O)c(F)c2)cc1OC
Show InChI InChI=1S/C21H18FN5O3/c1-29-17-6-4-13(10-18(17)30-2)25-20-21-24-7-8-27(21)11-16(26-20)12-3-5-14(19(23)28)15(22)9-12/h3-11H,1-2H3,(H2,23,28)(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015437
PNG
(CHEMBL3265023)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3n(C)ncc3c2)cc1OC
Show InChI InChI=1S/C22H20N6O2/c1-27-18-6-4-14(10-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-5-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26)
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n/an/a 21n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015452
PNG
(CHEMBL3265036)
Show SMILES C1COCCN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C24H23N7O/c1-9-30(11-13-32-12-1)20-6-4-19(5-7-20)27-23-24-25-8-10-31(24)16-22(28-23)17-2-3-18-15-26-29-21(18)14-17/h2-8,10,14-16H,1,9,11-13H2,(H,26,29)(H,27,28)
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n/an/a 23n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015423
PNG
(CHEMBL3265014)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(C(N)=O)c(OC)c2)cc1OC
Show InChI InChI=1S/C22H21N5O4/c1-29-17-7-5-14(11-19(17)31-3)25-21-22-24-8-9-27(22)12-16(26-21)13-4-6-15(20(23)28)18(10-13)30-2/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015464
PNG
(CHEMBL3265005)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(N)=O)cc1OC
Show InChI InChI=1S/C21H19N5O3/c1-28-17-7-6-15(11-18(17)29-2)24-20-21-23-8-9-26(21)12-16(25-20)13-4-3-5-14(10-13)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015443
PNG
(CHEMBL3265027)
Show SMILES N(c1ccccc1)c1nc(cn2ccnc12)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C19H14N6/c1-2-4-15(5-3-1)22-18-19-20-8-9-25(19)12-17(23-18)13-6-7-14-11-21-24-16(14)10-13/h1-12H,(H,21,24)(H,22,23)
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n/an/a 27n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015485
PNG
(CHEMBL3265009)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(C)c(c2)C(N)=O)cc1OC
Show InChI InChI=1S/C22H21N5O3/c1-13-4-5-14(10-16(13)20(23)28)17-12-27-9-8-24-22(27)21(26-17)25-15-6-7-18(29-2)19(11-15)30-3/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015441
PNG
(CHEMBL3265025)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3NC(=O)COc3c2)cc1OC
Show InChI InChI=1S/C22H19N5O4/c1-29-17-6-4-14(10-19(17)30-2)24-21-22-23-7-8-27(22)11-16(26-21)13-3-5-15-18(9-13)31-12-20(28)25-15/h3-11H,12H2,1-2H3,(H,24,26)(H,25,28)
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n/an/a 33n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015486
PNG
(CHEMBL3265010)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(OC)c(c2)C(N)=O)cc1OC
Show InChI InChI=1S/C22H21N5O4/c1-29-17-6-4-13(10-15(17)20(23)28)16-12-27-9-8-24-22(27)21(26-16)25-14-5-7-18(30-2)19(11-14)31-3/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 37n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015466
PNG
(CHEMBL3265006)
Show SMILES CNC(=O)c1cccc(c1)-c1cn2ccnc2c(Nc2ccc(OC)c(OC)c2)n1
Show InChI InChI=1S/C22H21N5O3/c1-23-22(28)15-6-4-5-14(11-15)17-13-27-10-9-24-21(27)20(26-17)25-16-7-8-18(29-2)19(12-16)30-3/h4-13H,1-3H3,(H,23,28)(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015422
PNG
(CHEMBL3265013)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(C(N)=O)c(C)c2)cc1OC
Show InChI InChI=1S/C22H21N5O3/c1-13-10-14(4-6-16(13)20(23)28)17-12-27-9-8-24-22(27)21(26-17)25-15-5-7-18(29-2)19(11-15)30-3/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015488
PNG
(CHEMBL3264994)
Show SMILES CC(C)(C)c1ccc(Nc2nc(cn3ccnc23)-c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)cc1
Show InChI InChI=1S/C30H27N5O3/c1-30(2,3)22-11-13-23(14-12-22)32-26-27-31-15-16-35(27)18-25(34-26)21-5-4-6-24(17-21)33-28(36)19-7-9-20(10-8-19)29(37)38/h4-18H,1-3H3,(H,32,34)(H,33,36)(H,37,38)
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n/an/a 65n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015479
PNG
(CHEMBL3265008)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(F)c(c2)C(N)=O)cc1OC
Show InChI InChI=1S/C21H18FN5O3/c1-29-17-6-4-13(10-18(17)30-2)25-20-21-24-7-8-27(21)11-16(26-20)12-3-5-15(22)14(9-12)19(23)28/h3-11H,1-2H3,(H2,23,28)(H,25,26)
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n/an/a 67n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015478
PNG
(CHEMBL3265007)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)N(C)C)cc1OC
Show InChI InChI=1S/C23H23N5O3/c1-27(2)23(29)16-7-5-6-15(12-16)18-14-28-11-10-24-22(28)21(26-18)25-17-8-9-19(30-3)20(13-17)31-4/h5-14H,1-4H3,(H,25,26)
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n/an/a 112n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015424
PNG
(CHEMBL3265015)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc(cc2C)C(N)=O)cc1OC
Show InChI InChI=1S/C22H21N5O3/c1-13-10-14(20(23)28)4-6-16(13)17-12-27-9-8-24-22(27)21(26-17)25-15-5-7-18(29-2)19(11-15)30-3/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 113n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a 147n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in immune complex-stimulated human monocyte assessed as TNFalpha production after 1 hr incubation


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50015489
PNG
(CHEMBL3265011)
Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cc(ccc2C)C(N)=O)cc1OC
Show InChI InChI=1S/C22H21N5O3/c1-13-4-5-14(20(23)28)10-16(13)17-12-27-9-8-24-22(27)21(26-17)25-15-6-7-18(29-2)19(11-15)30-3/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 466n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50015448
PNG
(CHEMBL3265032)
Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 3856-73 (2014)


Article DOI: 10.1021/jm500228a
BindingDB Entry DOI: 10.7270/Q2B27WV1
More data for this
Ligand-Target Pair
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