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Compile Data Set for Download or QSAR

Found 1849 hits with Last Name = 'boschelli' and Initial = 'dh'   
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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50239328
PNG
(2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)
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96n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 18: 2850-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.077
BindingDB Entry DOI: 10.7270/Q251403C
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50239328
PNG
(2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)
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96n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 18: 2850-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.077
BindingDB Entry DOI: 10.7270/Q251403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation in LoVo cells


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6469
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)26(35-2)15-24(18)33-29-21(16-31)17-32-25-12-20-14-28(27(36-3)13-19(20)11-22(25)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 0.150n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 0.280n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6472
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl2N5O3/c1-35-4-6-36(7-5-35)8-9-39-28-13-19-11-24-21(10-18(19)12-27(28)38-3)29(20(16-32)17-33-24)34-25-15-26(37-2)23(31)14-22(25)30/h10-15,17H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.290n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6470
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C30H32ClN5O3/c1-19-11-24(31)27(37-3)16-25(19)34-30-22(17-32)18-33-26-13-21-15-29(28(38-4)14-20(21)12-23(26)30)39-10-9-36-7-5-35(2)6-8-36/h11-16,18H,5-10H2,1-4H3,(H,33,34)
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n/an/a 0.310n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313570
PNG
((E)-4-(4-methyl-1H-indol-5-ylamino)-5-(2-(6-(piper...)
Show SMILES Cc1c(Nc2c(\C=C\c3cccc(CN4CCNCC4)n3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H27N7/c1-19-24-9-10-31-26(24)8-7-25(19)33-27-20(16-30-17-21(27)15-28)5-6-22-3-2-4-23(32-22)18-34-13-11-29-12-14-34/h2-10,16-17,29,31H,11-14,18H2,1H3,(H,30,33)/b6-5+
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n/an/a 0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6474
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)25(15-26(18)35-2)33-29-21(16-31)17-32-24-12-20-14-28(27(36-3)13-19(20)11-22(24)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 0.330n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50317233
PNG
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 20: 2924-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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n/an/a 0.440n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6471
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.460n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302036
PNG
(5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-y...)
Show SMILES CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C30H30N6O/c1-3-35-10-12-36(13-11-35)19-21-4-7-28-22(14-21)15-29(37-28)25-18-32-17-23(16-31)30(25)34-26-5-6-27-24(20(26)2)8-9-33-27/h4-9,14-15,17-18,33H,3,10-13,19H2,1-2H3,(H,32,34)
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n/an/a 0.480n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6476
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1F
Show InChI InChI=1S/C28H26ClFN4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.480n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50311953
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C28H28N6O2S/c1-20-25-10-11-31-27(25)9-8-26(20)32-28-22(18-30-19-23(28)17-29)7-6-21-4-3-5-24(16-21)37(35,36)34-14-12-33(2)13-15-34/h3-11,16,18-19,31H,12-15H2,1-2H3,(H,30,32)/b7-6+
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n/an/a 0.490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6475
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C30H31ClN4O4/c1-18-10-24(31)26(15-27(18)37-2)34-30-21(16-32)17-33-25-12-20-14-29(28(38-3)13-19(20)11-23(25)30)39-9-8-35-6-4-22(36)5-7-35/h10-15,17,22,36H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.550n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6538
PNG
(4-[(E)-2-{3-cyano-4-[(2,4-dichloro-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cc[n+]([O-])cc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H18Cl2N4O3/c1-33-23-10-18-21(9-16(23)4-3-15-5-7-31(32)8-6-15)29-14-17(13-28)25(18)30-22-12-24(34-2)20(27)11-19(22)26/h3-12,14H,1-2H3,(H,29,30)/b4-3+
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 1743-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.004
BindingDB Entry DOI: 10.7270/Q2VX0DRH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4560
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31i |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-34-23-13-22(19(27)11-20(23)28)31-26-16(14-29)15-30-21-12-25(24(35-2)10-18(21)26)36-9-3-6-32-7-4-17(33)5-8-32/h10-13,15,17,33H,3-9H2,1-2H3,(H,30,31)
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n/an/a 0.640n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313598
PNG
((E)-5-(2-(6-((4-(2-hydroxyethyl)piperazin-1-yl)met...)
Show SMILES Cc1c(Nc2c(\C=C\c3cccc(CN4CCN(CCO)CC4)n3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H31N7O/c1-21-26-9-10-32-28(26)8-7-27(21)34-29-22(18-31-19-23(29)17-30)5-6-24-3-2-4-25(33-24)20-36-13-11-35(12-14-36)15-16-37/h2-10,18-19,32,37H,11-16,20H2,1H3,(H,31,34)/b6-5+
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n/an/a 0.650n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302047
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 0.670n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6266
PNG
(8-Cyclopentyl-2-[4-(2-diethylaminoethoxy)phenylami...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6473
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H28Cl2N4O4/c1-37-26-14-25(22(30)13-23(26)31)34-29-19(15-32)16-33-24-10-18-12-28(27(38-2)11-17(18)9-21(24)29)39-8-7-35-5-3-20(36)4-6-35/h9-14,16,20,36H,3-8H2,1-2H3,(H,33,34)
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n/an/a 0.720n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13052
PNG
(3-quinolinecarbonitrile analog 22 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN(C)C)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H22Cl2N4O3/c1-31(2)12-16-5-14(13-34-16)17-6-21-18(7-23(17)32-3)25(15(10-28)11-29-21)30-22-9-24(33-4)20(27)8-19(22)26/h5-9,11,13H,12H2,1-4H3,(H,29,30)
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n/an/a 0.75n/an/an/an/a7.537



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4557
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31f |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H31Cl2N5O4/c1-36-24-15-23(20(28)13-21(24)29)32-27-18(16-30)17-31-22-14-26(25(37-2)12-19(22)27)38-11-3-4-33-5-7-34(8-6-33)9-10-35/h12-15,17,35H,3-11H2,1-2H3,(H,31,32)
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n/an/a 0.760n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4553
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31b |...)
Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-4-33-7-9-34(10-8-33)6-5-11-37-26-14-22-19(12-25(26)36-3)27(18(16-30)17-31-22)32-23-15-24(35-2)21(29)13-20(23)28/h12-15,17H,4-11H2,1-3H3,(H,31,32)
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n/an/a 0.770n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6096
PNG
(3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32)
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n/an/a 0.780n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13047
PNG
(3-quinolinecarbonitrile analog 10 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H27Cl2N5O3/c1-34-4-6-35(7-5-34)15-19-8-17(16-38-19)20-9-24-21(10-26(20)36-2)28(18(13-31)14-32-24)33-25-12-27(37-3)23(30)11-22(25)29/h8-12,14,16H,4-7,15H2,1-3H3,(H,32,33)
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n/an/a 0.780n/an/an/an/a7.537



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4543
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2c | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O4/c1-32-22-13-21(18(26)11-19(22)27)30-25-16(14-28)15-29-20-12-24(23(33-2)10-17(20)25)35-7-3-4-31-5-8-34-9-6-31/h10-13,15H,3-9H2,1-2H3,(H,29,30)
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n/an/a 0.800n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313596
PNG
((E)-5-(2-(6-((4-(dimethylamino)piperidin-1-yl)meth...)
Show SMILES CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
Show InChI InChI=1S/C30H33N7/c1-21-27-11-14-33-29(27)10-9-28(21)35-30-22(18-32-19-23(30)17-31)7-8-24-5-4-6-25(34-24)20-37-15-12-26(13-16-37)36(2)3/h4-11,14,18-19,26,33H,12-13,15-16,20H2,1-3H3,(H,32,35)/b8-7+
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n/an/a 0.840n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM35129
PNG
(5-vinyl-3-pyridinecarbonitrile, 14b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H28N6/c1-17-21-7-10-28-23(21)6-5-22(17)29-24-18(15-27-16-19(24)14-25)4-2-3-11-30-12-8-20(26)9-13-30/h2,4-7,10,15-16,20,28H,3,8-9,11-13,26H2,1H3,(H,27,29)/b4-2+
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n/an/a 0.880n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4544
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2d | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Br)cc1Cl
Show InChI InChI=1S/C25H26BrClN4O4/c1-32-22-13-21(18(26)11-19(22)27)30-25-16(14-28)15-29-20-12-24(23(33-2)10-17(20)25)35-7-3-4-31-5-8-34-9-6-31/h10-13,15H,3-9H2,1-2H3,(H,29,30)
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n/an/a 0.950n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132262
PNG
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313569
PNG
((E)-4-(4-methyl-1H-indol-5-ylamino)-5-(2-(6-((4-me...)
Show SMILES CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
Show InChI InChI=1S/C28H29N7/c1-20-25-10-11-31-27(25)9-8-26(20)33-28-21(17-30-18-22(28)16-29)6-7-23-4-3-5-24(32-23)19-35-14-12-34(2)13-15-35/h3-11,17-18,31H,12-15,19H2,1-2H3,(H,30,33)/b7-6+
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6463
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl2N5O3/c1-35-4-6-36(7-5-35)8-9-39-28-13-18-10-21-24(11-19(18)12-27(28)38-3)33-17-20(16-32)29(21)34-25-15-26(37-2)23(31)14-22(25)30/h10-15,17H,4-9H2,1-3H3,(H,33,34)
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Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4556
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31e |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4555
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31d |...)
Show SMILES CCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
Show InChI InChI=1S/C28H33Cl2N5O3/c1-4-6-34-8-10-35(11-9-34)7-5-12-38-27-15-23-20(13-26(27)37-3)28(19(17-31)18-32-23)33-24-16-25(36-2)22(30)14-21(24)29/h13-16,18H,4-12H2,1-3H3,(H,32,33)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4547
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2g | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C26H29ClN4O4/c1-17-11-20(27)22(14-23(17)32-2)30-26-18(15-28)16-29-21-13-25(24(33-3)12-19(21)26)35-8-4-5-31-6-9-34-10-7-31/h11-14,16H,4-10H2,1-3H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4559
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31h |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)35-10-6-9-32-7-4-3-5-8-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4545
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2e | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C26H29ClN4O4/c1-17-11-20(27)23(32-2)13-21(17)30-26-18(15-28)16-29-22-14-25(24(33-3)12-19(22)26)35-8-4-5-31-6-9-34-10-7-31/h11-14,16H,4-10H2,1-3H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6467
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1
Show InChI InChI=1S/C30H32N4O6/c1-35-25-13-20-12-24-23(11-19(20)14-26(25)40-10-7-34-5-8-39-9-6-34)29(21(17-31)18-32-24)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
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Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2011-4 (2002)


BindingDB Entry DOI: 10.7270/Q2PC30KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313582
PNG
((E)-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(morpholi...)
Show SMILES Cc1c(Nc2c(\C=C\c3cccc(CN4CCOCC4)c3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H27N5O/c1-20-25-9-10-31-27(25)8-7-26(20)32-28-23(17-30-18-24(28)16-29)6-5-21-3-2-4-22(15-21)19-33-11-13-34-14-12-33/h2-10,15,17-18,31H,11-14,19H2,1H3,(H,30,32)/b6-5+
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase dependent cellular proliferation


Bioorg Med Chem Lett 13: 2977-80 (2003)


BindingDB Entry DOI: 10.7270/Q2KH0MQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50301693
PNG
(5-(5-((4-(dimethylamino)piperidin-1-yl)methyl)fura...)
Show SMILES CN(C)C1CCN(Cc2cc(co2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C27H30N6O/c1-18-23-6-9-30-26(23)5-4-25(18)31-27-20(13-28)14-29-15-24(27)19-12-22(34-17-19)16-33-10-7-21(8-11-33)32(2)3/h4-6,9,12,14-15,17,21,30H,7-8,10-11,16H2,1-3H3,(H,29,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP kinase assay


Bioorg Med Chem Lett 19: 5423-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.109
BindingDB Entry DOI: 10.7270/Q2V69JPF
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50313578
PNG
((E)-5-(4-((4-(dimethylamino)piperidin-1-yl)methyl)...)
Show SMILES CN(C)C1CCN(Cc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Show InChI InChI=1S/C31H34N6/c1-22-28-12-15-34-30(28)11-10-29(22)35-31-25(19-33-20-26(31)18-32)9-8-23-4-6-24(7-5-23)21-37-16-13-27(14-17-37)36(2)3/h4-12,15,19-20,27,34H,13-14,16-17,21H2,1-3H3,(H,33,35)/b9-8+
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 20: 1965-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.119
BindingDB Entry DOI: 10.7270/Q2H70FX5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302045
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H27N5O/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4550
PNG
(4-Phenylamino 3-quinolinecarbonitrile deriv. 27 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)36-8-4-3-5-32-6-9-35-10-7-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
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