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Compile Data Set for Download or QSAR

Found 859 hits with Last Name = 'mcgowan' and Initial = 'd'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236571
PNG
(US9365582, 13)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(C)c2n1 |r,c:21|
Show InChI InChI=1S/C33H42N4O7S/c1-4-43-28-18-27(24-12-9-10-20(2)29(24)34-28)44-22-16-25-26(17-22)31(39)37(3)15-8-6-5-7-11-21-19-33(21,35-30(25)38)32(40)36-45(41,42)23-13-14-23/h7,9-12,18,21-23,25-26H,4-6,8,13-17,19H2,1-3H3,(H,35,38)(H,36,40)/b11-7-/t21-,22-,25-,26-,33-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236563
PNG
(US9365582, 3)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(C)c2n1 |r,c:21|
Show InChI InChI=1S/C34H44N4O8S/c1-5-45-29-18-28(24-13-14-27(44-4)20(2)30(24)35-29)46-22-16-25-26(17-22)32(40)38(3)15-9-7-6-8-10-21-19-34(21,36-31(25)39)33(41)37-47(42,43)23-11-12-23/h8,10,13-14,18,21-23,25-26H,5-7,9,11-12,15-17,19H2,1-4H3,(H,36,39)(H,37,41)/b10-8-/t21-,22-,25-,26-,34-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236565
PNG
(US9365582, 5)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)cc2n1 |r,c:21|
Show InChI InChI=1S/C33H42N4O8S/c1-4-44-29-18-28(24-13-10-21(43-3)17-27(24)34-29)45-22-15-25-26(16-22)31(39)37(2)14-8-6-5-7-9-20-19-33(20,35-30(25)38)32(40)36-46(41,42)23-11-12-23/h7,9-10,13,17-18,20,22-23,25-26H,4-6,8,11-12,14-16,19H2,1-3H3,(H,35,38)(H,36,40)/b9-7-/t20-,22-,25-,26-,33-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236566
PNG
(US9365582, 7)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(Br)c2n1 |r,c:21|
Show InChI InChI=1S/C33H41BrN4O8S/c1-4-45-27-17-26(22-12-13-25(44-3)28(34)29(22)35-27)46-20-15-23-24(16-20)31(40)38(2)14-8-6-5-7-9-19-18-33(19,36-30(23)39)32(41)37-47(42,43)21-10-11-21/h7,9,12-13,17,19-21,23-24H,4-6,8,10-11,14-16,18H2,1-3H3,(H,36,39)(H,37,41)/b9-7-/t19-,20-,23-,24-,33-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236573
PNG
(US9365582, 15)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCOc3c2n1 |r,c:21|
Show InChI InChI=1S/C33H40N4O9S/c1-3-43-27-16-26(22-11-12-25-29(28(22)34-27)45-18-44-25)46-20-14-23-24(15-20)31(39)37(2)13-7-5-4-6-8-19-17-33(19,35-30(23)38)32(40)36-47(41,42)21-9-10-21/h6,8,11-12,16,19-21,23-24H,3-5,7,9-10,13-15,17-18H2,1-2H3,(H,35,38)(H,36,40)/b8-6-/t19-,20-,23-,24-,33-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236569
PNG
(US9365582, 11)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1 |r,c:21|
Show InChI InChI=1S/C32H39ClN4O7S/c1-3-43-27-17-26(22-10-8-11-25(33)28(22)34-27)44-20-15-23-24(16-20)30(39)37(2)14-7-5-4-6-9-19-18-32(19,35-29(23)38)31(40)36-45(41,42)21-12-13-21/h6,8-11,17,19-21,23-24H,3-5,7,12-16,18H2,1-2H3,(H,35,38)(H,36,40)/b9-6-/t19-,20-,23-,24-,32-/m1/s1
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 0.5n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236567
PNG
(US9365582, 9)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCCc3c2n1 |r,c:21|
Show InChI InChI=1S/C34H42N4O8S/c1-3-44-29-18-28(23-11-12-27-24(13-15-45-27)30(23)35-29)46-21-16-25-26(17-21)32(40)38(2)14-7-5-4-6-8-20-19-34(20,36-31(25)39)33(41)37-47(42,43)22-9-10-22/h6,8,11-12,18,20-22,25-26H,3-5,7,9-10,13-17,19H2,1-2H3,(H,36,39)(H,37,41)/b8-6-/t20-,21-,25-,26-,34-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236568
PNG
(US9365582, 10)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(Cl)c2n1 |r,c:21|
Show InChI InChI=1S/C29H34ClN3O6/c1-3-38-24-15-23(19-10-8-11-22(30)25(19)31-24)39-18-13-20-21(14-18)27(35)33(2)12-7-5-4-6-9-17-16-29(17,28(36)37)32-26(20)34/h6,8-11,15,17-18,20-21H,3-5,7,12-14,16H2,1-2H3,(H,32,34)(H,36,37)/b9-6-/t17?,18-,20-,21-,29-/m1/s1
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 7.70n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236570
PNG
(US9365582, 12)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1 |r,c:21|
Show InChI InChI=1S/C30H37N3O6/c1-4-38-25-16-24(21-12-9-10-18(2)26(21)31-25)39-20-14-22-23(15-20)28(35)33(3)13-8-6-5-7-11-19-17-30(19,29(36)37)32-27(22)34/h7,9-12,16,19-20,22-23H,4-6,8,13-15,17H2,1-3H3,(H,32,34)(H,36,37)/b11-7-/t19-,20-,22-,23-,30-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236562
PNG
(US9365582, 2)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)c(C)c2n1 |r,c:21|
Show InChI InChI=1S/C31H39N3O7/c1-5-40-26-16-25(21-11-12-24(39-4)18(2)27(21)32-26)41-20-14-22-23(15-20)29(36)34(3)13-9-7-6-8-10-19-17-31(19,30(37)38)33-28(22)35/h8,10-12,16,19-20,22-23H,5-7,9,13-15,17H2,1-4H3,(H,33,35)(H,37,38)/b10-8-/t19-,20-,22-,23-,31-/m1/s1
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 37n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236564
PNG
(US9365582, 4)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)cc2n1 |r,c:21|
Show InChI InChI=1S/C30H37N3O7/c1-4-39-26-16-25(21-11-10-19(38-3)15-24(21)31-26)40-20-13-22-23(14-20)28(35)33(2)12-8-6-5-7-9-18-17-30(18,29(36)37)32-27(22)34/h7,9-11,15-16,18,20,22-23H,4-6,8,12-14,17H2,1-3H3,(H,32,34)(H,36,37)/b9-7-/t18-,20-,22-,23-,30-/m1/s1
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 46n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236572
PNG
(US9365582, 14)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc3OCOc3c2n1 |r,c:21|
Show InChI InChI=1S/C30H35N3O8/c1-3-38-24-14-23(19-9-10-22-26(25(19)31-24)40-16-39-22)41-18-12-20-21(13-18)28(35)33(2)11-7-5-4-6-8-17-15-30(17,29(36)37)32-27(20)34/h6,8-10,14,17-18,20-21H,3-5,7,11-13,15-16H2,1-2H3,(H,32,34)(H,36,37)/b8-6-/t17-,18-,20-,21-,30-/m1/s1
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 58n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194684
PNG
(4-methyl-N-(2-methyl-3-4-methyl-N-(2-methyl-3-(2-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O/c1-14-7-8-17(23(33)31-21-6-4-5-20(15(21)2)25(26,27)28)12-19(14)16-9-10-22-18(11-16)13-30-24(29-3)32-22/h4-13H,1-3H3,(H,31,33)(H,29,30,32)
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n/an/a 0.0100n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194688
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC3CC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C27H23F3N4O/c1-15-6-7-18(25(35)33-23-5-3-4-22(16(23)2)27(28,29)30)13-21(15)17-8-11-24-19(12-17)14-31-26(34-24)32-20-9-10-20/h3-8,11-14,20H,9-10H2,1-2H3,(H,33,35)(H,31,32,34)
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n/an/a 0.0700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM14949
PNG
(2-aminoquinazoline 5 | 3-(2-aminoquinazolin-6-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hemagglutinin


()		BDBM611021
PNG
(US10626108, Compound 15)
Show SMILES Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2cnn[nH]2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3KH8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM14949
PNG
(2-aminoquinazoline 5 | 3-(2-aminoquinazolin-6-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.200n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194668
PNG
(4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194691
PNG
(CHEMBL212128 | N-(4-methyl-3-(2-(methylamino)quina...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-8-19(30-22(32)16-4-3-5-18(11-16)24(25,26)27)12-20(14)15-7-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194694
PNG
(CHEMBL427233 | N-(2,3-dihydro-1H-inden-4-yl)-4-met...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc2CCCc12
Show InChI InChI=1S/C26H24N4O/c1-16-9-10-19(25(31)29-24-8-4-6-17-5-3-7-21(17)24)14-22(16)18-11-12-23-20(13-18)15-28-26(27-2)30-23/h4,6,8-15H,3,5,7H2,1-2H3,(H,29,31)(H,27,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26381
PNG
(1-N-[3-fluoro-5-(trifluoromethyl)benzene]-4-methyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H29F4N7O2/c1-19-3-4-24(38-28(43)20-13-21(31(33,34)35)15-22(32)14-20)16-27(19)29(44)39-25-17-36-30(37-18-25)40-23-5-7-26(8-6-23)42-11-9-41(2)10-12-42/h3-8,13-18H,9-12H2,1-2H3,(H,38,43)(H,39,44)(H,36,37,40)
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n/an/a 0.300n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194678
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C31H32F3N5O2/c1-20-7-8-23(29(40)37-27-6-3-5-26(21(27)2)31(32,33)34)18-25(20)22-9-10-28-24(17-22)19-36-30(38-28)35-11-4-12-39-13-15-41-16-14-39/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,37,40)(H,35,36,38)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26367
PNG
(Aminoquinazoline amide, 35 | N-[3-(2-aminoquinazol...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-7-18(29-21(31)15-3-2-4-17(10-15)23(24,25)26)11-19(13)14-6-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.400n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194686
PNG
(1-(2-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)b...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1NC(=O)NCCN1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N7O3/c1-19-3-4-21(16-24(19)20-5-7-25-22(15-20)18-37-29(35-2)39-25)28(42)38-27-17-23(31(32,33)34)6-8-26(27)40-30(43)36-9-10-41-11-13-44-14-12-41/h3-8,15-18H,9-14H2,1-2H3,(H,38,42)(H,35,37,39)(H2,36,40,43)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194670
PNG
(3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluor...)
Show SMILES Nc1ncc2cc(ccc2n1)-c1cc(ccc1Cl)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H14ClF3N4O/c23-18-6-4-13(20(31)29-16-3-1-2-15(10-16)22(24,25)26)9-17(18)12-5-7-19-14(8-12)11-28-21(27)30-19/h1-11H,(H,29,31)(H2,27,28,30)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194690
PNG
(2-fluoro-4-methyl-5-(2-(methylamino)quinazolin-6-y...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(F)cc1C
Show InChI InChI=1S/C24H18F4N4O/c1-13-8-20(25)19(22(33)31-17-5-3-4-16(10-17)24(26,27)28)11-18(13)14-6-7-21-15(9-14)12-30-23(29-2)32-21/h3-12H,1-2H3,(H,31,33)(H,29,30,32)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194671
PNG
(4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O2/c1-18-4-5-20(15-24(18)19-6-8-25-21(14-19)17-35-29(34-2)37-25)28(39)36-26-16-22(30(31,32)33)7-9-27(26)40-23-10-12-38(3)13-11-23/h4-9,14-17,23H,10-13H2,1-3H3,(H,36,39)(H,34,35,37)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194683
PNG
(CHEMBL212953 | N-(2-(2-(diethylamino)acetamido)-5-...)
Show SMILES CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC)ncc2c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O2/c1-5-39(6-2)17-27(40)36-25-12-10-22(30(31,32)33)15-26(25)37-28(41)20-8-7-18(3)23(14-20)19-9-11-24-21(13-19)16-35-29(34-4)38-24/h7-16H,5-6,17H2,1-4H3,(H,36,40)(H,37,41)(H,34,35,38)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194681
PNG
(CHEMBL215019 | N-(4-chloro-3-(trifluoromethyl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N4O/c1-13-3-4-15(22(33)31-17-6-7-20(25)19(11-17)24(26,27)28)10-18(13)14-5-8-21-16(9-14)12-30-23(29-2)32-21/h3-12H,1-2H3,(H,31,33)(H,29,30,32)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26366
PNG
(4-methyl-3-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
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n/an/a 0.5n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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n/an/a 0.600n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM26369
PNG
(4-methyl-3-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H30F3N7O2/c1-20-6-7-24(37-28(42)21-4-3-5-22(16-21)31(32,33)34)17-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
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n/an/a 0.600n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194679
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-N-(2-methyl-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-13-6-7-16(22(32)30-20-5-3-4-19(14(20)2)24(25,26)27)11-18(13)15-8-9-21-17(10-15)12-29-23(28)31-21/h3-12H,1-2H3,(H,30,32)(H2,28,29,31)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194675
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES CN1CCC(CC1)Nc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O/c1-18-7-8-21(28(39)36-26-6-4-5-25(19(26)2)30(31,32)33)16-24(18)20-9-10-27-22(15-20)17-34-29(37-27)35-23-11-13-38(3)14-12-23/h4-10,15-17,23H,11-14H2,1-3H3,(H,36,39)(H,34,35,37)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


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



Amgen



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

J Med Chem 49: 4981-91 (2006)


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


(Homo sapiens (Human))		BDBM26382
PNG
(4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)
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n/an/a 0.800n/an/an/an/a7.522



Amgen



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

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50194691
PNG
(CHEMBL212128 | N-(4-methyl-3-(2-(methylamino)quina...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-8-19(30-22(32)16-4-3-5-18(11-16)24(25,26)27)12-20(14)15-7-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50194700
PNG
(5-(2-aminoquinazolin-6-yl)-2-fluoro-4-methyl-N-(3-...)
Show SMILES Cc1cc(F)c(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H16F4N4O/c1-12-7-19(24)18(21(32)30-16-4-2-3-15(9-16)23(25,26)27)10-17(12)13-5-6-20-14(8-13)11-29-22(28)31-20/h2-11H,1H3,(H,30,32)(H2,28,29,31)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay

J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM26379
PNG
(1-N-benzene-4-methyl-3-N-(2-{[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1
Show InChI InChI=1S/C30H31N7O2/c1-21-8-9-24(33-28(38)22-6-4-3-5-7-22)18-27(21)29(39)34-25-19-31-30(32-20-25)35-23-10-12-26(13-11-23)37-16-14-36(2)15-17-37/h3-13,18-20H,14-17H2,1-2H3,(H,33,38)(H,34,39)(H,31,32,35)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...

J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529403
PNG
(US11198699, Compound 30)
Show SMILES C[C@]1(CCc2cc(F)c3cn(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529405
PNG
(US11198699, Compound 36)
Show SMILES Nc1nc2cc(CC[C@@]3(F)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc(F)c2cc1Cl |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529406
PNG
(US11198699, Compound 37)
Show SMILES C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529408
PNG
(US11198699, Compound 39)
Show SMILES C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529409
PNG
(US11198699, Compound 40)
Show SMILES Nc1nc2cc(CC[C@@]3(CO)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc(F)c2cc1Cl |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529374
PNG
(US11198699, Compound 4 | US11198699, Compound 42)
Show SMILES C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529412
PNG
(US11198699, Compound 43)
Show SMILES C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1cc(F)c2c(N)nccc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529414
PNG
(US11198699, Compound 45)
Show SMILES CC(=O)[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529415
PNG
(US11198699, Compound 46)
Show SMILES C[C@]1(CCCCc2ccc(Cl)c(N)n2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529416
PNG
(US11198699, Compound 47)
Show SMILES C[C@]1(CCCCc2cccc(N)n2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
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