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PubMed code 25625541

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
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))
BDBM50075813
PNG
(CHEMBL3415598)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Show InChI InChI=1/C19H24N10O/c1-11-8-16(28-19(25-11)29-23-6-7-24-29)27-15-9-12(10-22-17(15)18(21)30)26-14-5-3-2-4-13(14)20/h6-10,13-14,26H,2-5,20H2,1H3,(H2,21,30)(H,25,27,28)/t13-,14+/s2
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n/an/a 0.0100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 0.0600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075740
PNG
(CHEMBL3415589)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O3S/c1-10-5-11(2)22-16(6-10)24-14-7-12(8-21-17(14)18(20)25)23-15-9-28(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075922
PNG
(CHEMBL3415606)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)-n2nccn2)c1 |r|
Show InChI InChI=1/C19H23N9O/c20-13-4-1-2-5-14(13)25-12-10-15(18(19(21)29)22-11-12)26-16-6-3-7-17(27-16)28-23-8-9-24-28/h3,6-11,13-14,25H,1-2,4-5,20H2,(H2,21,29)(H,26,27)/t13-,14+/s2
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075744
PNG
(CHEMBL3415594)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |r|
Show InChI InChI=1/C23H30N8O/c1-13-8-20(28-14(2)21(13)15-10-27-31(3)12-15)30-19-9-16(11-26-22(19)23(25)32)29-18-7-5-4-6-17(18)24/h8-12,17-18,29H,4-7,24H2,1-3H3,(H2,25,32)(H,28,30)/t17-,18+/s2
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075747
PNG
(CHEMBL3415597)
Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1 |r|
Show InChI InChI=1/C21H31N7O3/c1-12-25-17(9-18(26-12)31-11-21(2,3)30)28-16-8-13(10-24-19(16)20(23)29)27-15-7-5-4-6-14(15)22/h8-10,14-15,27,30H,4-7,11,22H2,1-3H3,(H2,23,29)(H,25,26,28)/t14-,15+/s2
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n/an/a 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075819
PNG
(CHEMBL3415604)
Show SMILES Cc1cc(CCC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 |r|
Show InChI InChI=1/C23H34N6O2/c1-14-10-15(8-9-23(2,3)31)11-20(27-14)29-19-12-16(13-26-21(19)22(25)30)28-18-7-5-4-6-17(18)24/h10-13,17-18,28,31H,4-9,24H2,1-3H3,(H2,25,30)(H,27,29)/t17-,18+/s2
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075732
PNG
(CHEMBL3414584 | US9775839, 2.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/s2
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n/an/a 0.5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075742
PNG
(CHEMBL3415592)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)C(F)(F)F)c1 |r|
Show InChI InChI=1/C18H21F3N6O/c19-18(20,21)14-6-3-7-15(27-14)26-13-8-10(9-24-16(13)17(23)28)25-12-5-2-1-4-11(12)22/h3,6-9,11-12,25H,1-2,4-5,22H2,(H2,23,28)(H,26,27)/t11-,12+/s2
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n/an/a 0.5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075738
PNG
(CHEMBL3415587)
Show SMILES Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 0.600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075733
PNG
(CHEMBL3415610 | US9775839, 8.5)
Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
Show InChI InChI=1/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)/t11-,13+/s2
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n/an/a 0.700n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075743
PNG
(CHEMBL3415593)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O2/c1-11-7-13(27-2)9-17(23-11)25-16-8-12(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 0.800n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075739
PNG
(CHEMBL3415588)
Show SMILES COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1 |r|
Show InChI InChI=1/C17H24N6O2/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-25-3/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/s2
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075745
PNG
(CHEMBL3415595)
Show SMILES Cc1cc(CC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 |r|
Show InChI InChI=1/C22H32N6O2/c1-13-8-14(11-22(2,3)30)9-19(26-13)28-18-10-15(12-25-20(18)21(24)29)27-17-7-5-4-6-16(17)23/h8-10,12,16-17,27,30H,4-7,11,23H2,1-3H3,(H2,24,29)(H,26,28)/t16-,17+/s2
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n/an/a 0.900n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075821
PNG
(CHEMBL3415605)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |r|
Show InChI InChI=1/C22H28N8O3S/c1-12-6-19(27-13(2)20(12)14-8-26-30(3)10-14)29-17-7-15(9-25-21(17)22(24)31)28-18-11-34(32,33)5-4-16(18)23/h6-10,16,18,28H,4-5,11,23H2,1-3H3,(H2,24,31)(H,27,29)/t16-,18+/s2
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n/an/a 1n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075943
PNG
(CHEMBL3415607)
Show SMILES CC(C)c1cccc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)n1 |r|
Show InChI InChI=1/C19H26N6O3S/c1-11(2)14-4-3-5-17(24-14)25-15-8-12(9-22-18(15)19(21)26)23-16-10-29(27,28)7-6-13(16)20/h3-5,8-9,11,13,16,23H,6-7,10,20H2,1-2H3,(H2,21,26)(H,24,25)/t13-,16+/s2
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n/an/a 2n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075944
PNG
(CHEMBL3415609 | US9775839, 3.1)
Show SMILES N[C@H]1CCS(=O)(=O)C[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1/C18H20N6O3S/c19-11-5-6-28(26,27)9-14(11)23-15-8-21-17(18(20)25)16(24-15)13-7-10-3-1-2-4-12(10)22-13/h1-4,7-8,11,14,22H,5-6,9,19H2,(H2,20,25)(H,23,24)/t11-,14+/s2
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n/an/a 2.5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50011182
PNG
(CHEMBL3260318)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1 |r|
Show InChI InChI=1S/C20H27N5O/c1-12-9-13(2)23-19(10-12)25-18-11-14(7-8-15(18)20(22)26)24-17-6-4-3-5-16(17)21/h7-11,16-17,24H,3-6,21H2,1-2H3,(H2,22,26)(H,23,25)/t16-,17+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075741
PNG
(CHEMBL3415591)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CCS(C)(=O)=O)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H26N6O3S/c1-11-6-12(2)23-16(7-11)24-15-8-14(10-22-17(15)18(20)25)21-9-13(19)4-5-28(3,26)27/h6-8,10,13,21H,4-5,9,19H2,1-3H3,(H2,20,25)(H,23,24)/t13-/s2
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n/an/a 5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 5.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Zap70 (unknown origin) expressed in insect SF9 cells using biotin-EQEDEPEGDYFEWLE-CONH2 as substrate preincubated for 10 mins...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075737
PNG
(CHEMBL3415585)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CC(F)F)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C17H22F2N6O/c1-9-3-10(2)24-15(4-9)25-13-6-12(8-23-16(13)17(21)26)22-7-11(20)5-14(18)19/h3-4,6,8,11,14,22H,5,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t11-/s2
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n/an/a 7n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075731
PNG
(CHEMBL3415608)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-13-5-1-2-6-14(13)23-11-9-12(17(18(21)26)22-10-11)19-24-15-7-3-4-8-16(15)25-19/h3-4,7-10,13-14,23H,1-2,5-6,20H2,(H2,21,26)(H,24,25)/t13-,14+/s2
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n/an/a 7n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075736
PNG
(CHEMBL3415584)
Show SMILES Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C20H27N5O/c1-12-7-13(2)9-14(8-12)24-18-10-15(11-23-19(18)20(22)26)25-17-6-4-3-5-16(17)21/h7-11,16-17,24-25H,3-6,21H2,1-2H3,(H2,22,26)/t16-,17+/s2
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n/an/a 8.80n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075746
PNG
(CHEMBL3415596)
Show SMILES Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O |r|
Show InChI InChI=1/C21H30N6O2/c1-12-8-13(21(2,3)29)9-18(25-12)27-17-10-14(11-24-19(17)20(23)28)26-16-7-5-4-6-15(16)22/h8-11,15-16,26,29H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15-,16+/s2
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n/an/a 9n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075734
PNG
(CHEMBL3415582)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O/c1-11-7-12(2)23-18(8-11)25-16-9-17(22-10-13(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t14-,15+/s2
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n/an/a 19n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50075732
PNG
(CHEMBL3414584 | US9775839, 2.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/s2
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n/an/a 30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 32n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50075733
PNG
(CHEMBL3415610 | US9775839, 8.5)
Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
Show InChI InChI=1/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)/t11-,13+/s2
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n/an/a 33n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 43n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075814
PNG
(CHEMBL3415602)
Show SMILES CC(Nc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1)c1ncc[nH]1
Show InChI InChI=1/C18H21N7O/c1-10-6-11(2)23-15(7-10)25-14-8-13(9-22-16(14)17(19)26)24-12(3)18-20-4-5-21-18/h4-9,12,24H,1-3H3,(H2,19,26)(H,20,21)(H,23,25)
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n/an/a 51n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 56n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 58n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075815
PNG
(CHEMBL3415603)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H25N5O2/c1-11-7-12(2)22-17(8-11)24-15-9-13(10-21-18(15)19(20)26)23-14-5-3-4-6-16(14)25/h7-10,14,16,23,25H,3-6H2,1-2H3,(H2,20,26)(H,22,24)/t14-,16+/s2
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n/an/a 60n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075733
PNG
(CHEMBL3415610 | US9775839, 8.5)
Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
Show InChI InChI=1/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)/t11-,13+/s2
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n/an/a 62n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50075731
PNG
(CHEMBL3415608)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-13-5-1-2-6-14(13)23-11-9-12(17(18(21)26)22-10-11)19-24-15-7-3-4-8-16(15)25-19/h3-4,7-10,13-14,23H,1-2,5-6,20H2,(H2,21,26)(H,24,25)/t13-,14+/s2
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n/an/a 130n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075732
PNG
(CHEMBL3414584 | US9775839, 2.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/s2
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n/an/a 130n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50075731
PNG
(CHEMBL3415608)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-13-5-1-2-6-14(13)23-11-9-12(17(18(21)26)22-10-11)19-24-15-7-3-4-8-16(15)25-19/h3-4,7-10,13-14,23H,1-2,5-6,20H2,(H2,21,26)(H,24,25)/t13-,14+/s2
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n/an/a 160n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075682
PNG
(CHEMBL3415590)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/s2
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n/an/a 184n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075681
PNG
(CHEMBL3415586)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C16H19F3N6O/c1-8-3-9(2)24-13(4-8)25-11-5-10(6-23-14(11)15(21)26)22-7-12(20)16(17,18)19/h3-6,12,22H,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t12-/s2
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n/an/a 371n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50075731
PNG
(CHEMBL3415608)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H22N6O/c20-13-5-1-2-6-14(13)23-11-9-12(17(18(21)26)22-10-11)19-24-15-7-3-4-8-16(15)25-19/h3-4,7-10,13-14,23H,1-2,5-6,20H2,(H2,21,26)(H,24,25)/t13-,14+/s2
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n/an/a 420n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of TSSK3 (unknown origin)


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075742
PNG
(CHEMBL3415592)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)C(F)(F)F)c1 |r|
Show InChI InChI=1/C18H21F3N6O/c19-18(20,21)14-6-3-7-15(27-14)26-13-8-10(9-24-16(13)17(23)28)25-12-5-2-1-4-11(12)22/h3,6-9,11-12,25H,1-2,4-5,22H2,(H2,23,28)(H,26,27)/t11-,12+/s2
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n/an/a 600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075744
PNG
(CHEMBL3415594)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |r|
Show InChI InChI=1/C23H30N8O/c1-13-8-20(28-14(2)21(13)15-10-27-31(3)12-15)30-19-9-16(11-26-22(19)23(25)32)29-18-7-5-4-6-17(18)24/h8-12,17-18,29H,4-7,24H2,1-3H3,(H2,25,32)(H,28,30)/t17-,18+/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075739
PNG
(CHEMBL3415588)
Show SMILES COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1 |r|
Show InChI InChI=1/C17H24N6O2/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-25-3/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075743
PNG
(CHEMBL3415593)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C19H26N6O2/c1-11-7-13(27-2)9-17(23-11)25-16-8-12(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075738
PNG
(CHEMBL3415587)
Show SMILES Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075737
PNG
(CHEMBL3415585)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CC(F)F)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C17H22F2N6O/c1-9-3-10(2)24-15(4-9)25-13-6-12(8-23-16(13)17(21)26)22-7-11(20)5-14(18)19/h3-4,6,8,11,14,22H,5,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t11-/s2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075745
PNG
(CHEMBL3415595)
Show SMILES Cc1cc(CC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 |r|
Show InChI InChI=1/C22H32N6O2/c1-13-8-14(11-22(2,3)30)9-19(26-13)28-18-10-15(12-25-20(18)21(24)29)27-17-7-5-4-6-16(17)23/h8-10,12,16-17,27,30H,4-7,11,23H2,1-3H3,(H2,24,29)(H,26,28)/t16-,17+/s2
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075746
PNG
(CHEMBL3415596)
Show SMILES Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O |r|
Show InChI InChI=1/C21H30N6O2/c1-12-8-13(21(2,3)29)9-18(25-12)27-17-10-14(11-24-19(17)20(23)28)26-16-7-5-4-6-15(16)22/h8-11,15-16,26,29H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15-,16+/s2
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075741
PNG
(CHEMBL3415591)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CCS(C)(=O)=O)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H26N6O3S/c1-11-6-12(2)23-16(7-11)24-15-8-14(10-22-17(15)18(20)25)21-9-13(19)4-5-28(3,26)27/h6-8,10,13,21H,4-5,9,19H2,1-3H3,(H2,20,25)(H,23,24)/t13-/s2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075747
PNG
(CHEMBL3415597)
Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1 |r|
Show InChI InChI=1/C21H31N7O3/c1-12-25-17(9-18(26-12)31-11-21(2,3)30)28-16-8-13(10-24-19(16)20(23)29)27-15-7-5-4-6-14(15)22/h8-10,14-15,27,30H,4-7,11,22H2,1-3H3,(H2,23,29)(H,25,26,28)/t14-,15+/s2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075733
PNG
(CHEMBL3415610 | US9775839, 8.5)
Show SMILES COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
Show InChI InChI=1/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)/t11-,13+/s2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075740
PNG
(CHEMBL3415589)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O3S/c1-10-5-11(2)22-16(6-10)24-14-7-12(8-21-17(14)18(20)25)23-15-9-28(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 2.90E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075681
PNG
(CHEMBL3415586)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C16H19F3N6O/c1-8-3-9(2)24-13(4-8)25-11-5-10(6-23-14(11)15(21)26)22-7-12(20)16(17,18)19/h3-6,12,22H,7,20H2,1-2H3,(H2,21,26)(H,24,25)/t12-/s2
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n/an/a 4.20E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Displacement of radio-labeled MK-499 from ERG channel in human embryonic kidney cells


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075813
PNG
(CHEMBL3415598)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Show InChI InChI=1/C19H24N10O/c1-11-8-16(28-19(25-11)29-23-6-7-24-29)27-15-9-12(10-22-17(15)18(21)30)26-14-5-3-2-4-13(14)20/h6-10,13-14,26H,2-5,20H2,1H3,(H2,21,30)(H,25,27,28)/t13-,14+/s2
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075682
PNG
(CHEMBL3415590)
Show SMILES Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1 |r|
Show InChI InChI=1/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/s2
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Displacement of radio-labeled MK-499 from ERG channel in human embryonic kidney cells


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%