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PubMed code 17884497

Compile data set for download or QSAR
Found 14 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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25194
PNG
(3-{[7-(pyridin-2-yl)quinolin-4-yl]amino}phenol | 7...)
Show SMILES Oc1cccc(Nc2ccnc3cc(ccc23)-c2ccccn2)c1
Show InChI InChI=1S/C20H15N3O/c24-16-5-3-4-15(13-16)23-19-9-11-22-20-12-14(7-8-17(19)20)18-6-1-2-10-21-18/h1-13,24H,(H,22,23)
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n/an/a 6n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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n/an/a 25n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25192
PNG
(4-chloro-2-fluoro-5-({7-[2-(hydroxymethyl)-1,3-thi...)
Show SMILES OCc1nc(cs1)-c1ccc2c(Nc3cc(O)c(F)cc3Cl)ccnc2c1
Show InChI InChI=1S/C19H13ClFN3O2S/c20-12-6-13(21)18(26)7-16(12)23-14-3-4-22-15-5-10(1-2-11(14)15)17-9-27-19(8-25)24-17/h1-7,9,25-26H,8H2,(H,22,23)
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n/an/a 25n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25200
PNG
(3-({6-methanesulfonyl-7-[2-(morpholin-4-ylmethyl)-...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN4CCOCC4)n3)c(cc12)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O4S2/c1-16-3-4-17(30)11-21(16)27-20-5-6-26-22-12-19(24(13-18(20)22)35(2,31)32)23-15-34-25(28-23)14-29-7-9-33-10-8-29/h3-6,11-13,15,30H,7-10,14H2,1-2H3,(H,26,27)
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n/an/a 34n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25190
PNG
(2-chloro-4-fluoro-5-({7-[3-({[2-(morpholin-4-yl)et...)
Show SMILES Oc1cc(Nc2ccnc3cc(ccc23)-c2cccc(CNCCN3CCOCC3)c2)c(F)cc1Cl
Show InChI InChI=1S/C28H28ClFN4O2/c29-23-16-24(30)27(17-28(23)35)33-25-6-7-32-26-15-21(4-5-22(25)26)20-3-1-2-19(14-20)18-31-8-9-34-10-12-36-13-11-34/h1-7,14-17,31,35H,8-13,18H2,(H,32,33)
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n/an/a 75n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25193
PNG
(4-methyl-3-{[7-(pyridin-2-yl)quinolin-4-yl]amino}p...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1ccccn1
Show InChI InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24)
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n/an/a 75n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25195
PNG
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24)
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n/an/a 80n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25199
PNG
(5-{[7-(1-benzofuran-2-yl)quinolin-4-yl]amino}-2-br...)
Show SMILES Oc1cc(Nc2ccnc3cc(ccc23)-c2cc3ccccc3o2)ccc1Br
Show InChI InChI=1S/C23H15BrN2O2/c24-18-8-6-16(13-21(18)27)26-19-9-10-25-20-11-15(5-7-17(19)20)23-12-14-3-1-2-4-22(14)28-23/h1-13,27H,(H,25,26)
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n/an/a 85n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25197
PNG
(6-substituted 4-anilinoquinoline, 37 | N-(cyclopro...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C20H21N3O3S/c1-13-2-5-15(24)10-20(13)23-19-8-9-21-18-7-6-16(11-17(18)19)27(25,26)22-12-14-3-4-14/h2,5-11,14,22,24H,3-4,12H2,1H3,(H,21,23)
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n/an/a 90n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25196
PNG
(4-[(5-hydroxy-2-methylphenyl)amino]-N-(propan-2-yl...)
Show SMILES CC(C)NC(=O)c1ccc2nccc(Nc3cc(O)ccc3C)c2c1
Show InChI InChI=1S/C20H21N3O2/c1-12(2)22-20(25)14-5-7-17-16(10-14)18(8-9-21-17)23-19-11-15(24)6-4-13(19)3/h4-12,24H,1-3H3,(H,21,23)(H,22,25)
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n/an/a 95n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25188
PNG
(3-{[3-chloro-7-(1,3-thiazol-5-yl)quinolin-4-yl]ami...)
Show SMILES Oc1cccc(Nc2c(Cl)cnc3cc(ccc23)-c2cncs2)c1
Show InChI InChI=1S/C18H12ClN3OS/c19-15-8-21-16-6-11(17-9-20-10-24-17)4-5-14(16)18(15)22-12-2-1-3-13(23)7-12/h1-10,23H,(H,21,22)
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n/an/a 100n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25189
PNG
(4-methyl-3-{[6-(pyridin-4-yl)-2-(trifluoromethyl)q...)
Show SMILES Cc1ccc(O)cc1Nc1cc(nc2ccc(cc12)-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O/c1-13-2-4-16(29)11-19(13)27-20-12-21(22(23,24)25)28-18-5-3-15(10-17(18)20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H,27,28)
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n/an/a>1.00E+3n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM25201
PNG
(4-Anilino-6,7-disubstituted quinoline, 41 | 4-chlo...)
Show SMILES Oc1cc(Nc2ccnc3cc(-c4ccc(CN5CCOCC5)o4)c(Cl)cc23)c(Cl)cc1F
Show InChI InChI=1S/C24H20Cl2FN3O3/c25-17-9-16-20(29-22-12-23(31)19(27)11-18(22)26)3-4-28-21(16)10-15(17)24-2-1-14(33-24)13-30-5-7-32-8-6-30/h1-4,9-12,31H,5-8,13H2,(H,28,29)
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n/an/a>1.00E+3n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...

Bioorg Med Chem Lett 17: 5886-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2H1309S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%