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Compile Data Set for Download or QSAR

Found 170 hits from Chungbuk National University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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3.80n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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4.10n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50173165
PNG
(CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...)
Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
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4.20n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50173163
PNG
(3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1
Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)
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4.70n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173163
PNG
(3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1
Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)
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5.30n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173165
PNG
(CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...)
Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
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5.30n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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6.30n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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7.30n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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13n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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18n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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18n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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19n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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20n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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24n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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27n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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47n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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48n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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50n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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56n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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80n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173162
PNG
(CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...)
Show SMILES COc1cccc(c1)N(N=C1NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
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PubMed
103n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173164
PNG
(3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...)
Show SMILES Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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PubMed
843n/an/an/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells


Bioorg Med Chem Lett 15: 4691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.083
BindingDB Entry DOI: 10.7270/Q2D799ZF
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157303
PNG
(CHEMBL3785774)
Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+
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n/an/a 0.5n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157313
PNG
(CHEMBL3786892)
Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157313
PNG
(CHEMBL3786892)
Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157538
PNG
(CHEMBL3785299)
Show SMILES COc1cc2c(CCC(NC(=O)CN(C)C)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)42(39,40)25-11-9-8-10-22(25)33-28-21(31)16-32-29(36-28)34-23-14-19-12-13-26(35-27(38)17-37(5)6)30(3,4)20(19)15-24(23)41-7/h8-11,14-16,18,26H,12-13,17H2,1-7H3,(H,35,38)(H2,32,33,34,36)
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n/an/a 3.60n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157538
PNG
(CHEMBL3785299)
Show SMILES COc1cc2c(CCC(NC(=O)CN(C)C)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)42(39,40)25-11-9-8-10-22(25)33-28-21(31)16-32-29(36-28)34-23-14-19-12-13-26(35-27(38)17-37(5)6)30(3,4)20(19)15-24(23)41-7/h8-11,14-16,18,26H,12-13,17H2,1-7H3,(H,35,38)(H2,32,33,34,36)
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n/an/a 4.20n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157534
PNG
(CHEMBL3786402)
Show SMILES COc1cc2c(CCC(NC(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H34ClN5O5S/c1-16(2)40(37,38)23-9-7-6-8-20(23)31-26-19(29)14-30-27(34-26)32-21-12-17-10-11-24(33-25(36)15-35)28(3,4)18(17)13-22(21)39-5/h6-9,12-14,16,24,35H,10-11,15H2,1-5H3,(H,33,36)(H2,30,31,32,34)
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n/an/a 6.10n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157303
PNG
(CHEMBL3785774)
Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+
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n/an/a 8.40n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438415
PNG
(CHEMBL2414148)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCC2)c(Cl)c1
Show InChI InChI=1S/C15H14ClNO3S/c16-11-6-10(7-13-14(18)17-15(19)21-13)4-5-12(11)20-8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H,17,18,19)
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n/an/a 9n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157534
PNG
(CHEMBL3786402)
Show SMILES COc1cc2c(CCC(NC(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H34ClN5O5S/c1-16(2)40(37,38)23-9-7-6-8-20(23)31-26-19(29)14-30-27(34-26)32-21-12-17-10-11-24(33-25(36)15-35)28(3,4)18(17)13-22(21)39-5/h6-9,12-14,16,24,35H,10-11,15H2,1-5H3,(H,33,36)(H2,30,31,32,34)
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n/an/a 9.90n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438413
PNG
(CHEMBL2414150)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCC2)c(Cl)c1
Show InChI InChI=1S/C16H16ClNO3S/c17-12-7-11(8-14-15(19)18-16(20)22-14)5-6-13(12)21-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,18,19,20)
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n/an/a 11n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438430
PNG
(CHEMBL2414240 | US8637558, 18)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1Cl
Show InChI InChI=1S/C18H20ClNO3S/c19-15-11-14(23-9-8-12-4-2-1-3-5-12)7-6-13(15)10-16-17(21)20-18(22)24-16/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 14n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157336
PNG
(CHEMBL3785093)
Show SMILES COc1cc2CC\C(=N/NC(N)=N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H29N5O/c23-20-3-1-2-4-21(20)26-10-7-16(8-11-26)15-28-19-6-5-17-9-12-27(22(24)25)14-18(17)13-19/h1-6,13,16H,7-12,14-15,23H2,(H3,24,25)
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n/an/a 16n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157326
PNG
(CHEMBL3785115)
Show SMILES COc1cc2CC\C(=N/NC(N)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-13-17-16(12-21(20)39-5)10-11-23(27(17,3)4)34-35-25(29)36/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
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n/an/a 16n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157529
PNG
(CHEMBL3786763)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN8O3S/c1-15(2)40(37,38)22-9-7-6-8-19(22)32-24-18(28)14-31-26(34-24)33-20-12-16-10-11-23(35-36-25(29)30)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H4,29,30,36)(H2,31,32,33,34)/b35-23+
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n/an/a 18n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438403
PNG
(CHEMBL2414160 | US8637558, 69)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H14ClNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438416
PNG
(CHEMBL2414147)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCOC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C18H20ClNO4S/c19-14-10-12(11-16-17(21)20-18(22)25-16)6-7-15(14)24-9-8-23-13-4-2-1-3-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157527
PNG
(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
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n/an/a 21n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157319
PNG
(CHEMBL3786270)
Show SMILES COc1cc2c(CCC(O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
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n/an/a 21n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157533
PNG
(CHEMBL3786431)
Show SMILES COc1cc2CCC(N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-13-17-16(12-21(20)35-5)10-11-23(28)26(17,3)4/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
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n/an/a 27n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157528
PNG
(CHEMBL3786127)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-12-16-10-11-23(34-35-25(29)36)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
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n/an/a 29n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 29n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157318
PNG
(CHEMBL3785322)
Show SMILES COc1cc2CCC(O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)35-5)10-11-23(32)26(17,3)4/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
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n/an/a 34n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157529
PNG
(CHEMBL3786763)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN8O3S/c1-15(2)40(37,38)22-9-7-6-8-19(22)32-24-18(28)14-31-26(34-24)33-20-12-16-10-11-23(35-36-25(29)30)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H4,29,30,36)(H2,31,32,33,34)/b35-23+
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n/an/a 37n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+]


(Homo sapiens (Human))
BDBM50438402
PNG
(CHEMBL2414161 | US8637558, 70)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H16ClNO3S/c20-15-11-14(12-17-18(22)21-19(23)25-17)8-9-16(15)24-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22,23)
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n/an/a 38n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...


Bioorg Med Chem 21: 4477-84 (2013)


Article DOI: 10.1016/j.bmc.2013.05.049
BindingDB Entry DOI: 10.7270/Q2542Q00
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157530
PNG
(CHEMBL3785538)
Show SMILES COc1cc2c(CC\C(=N/N3CCOCC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-16-20-10-11-27(36-37-12-14-41-15-13-37)30(3,4)21(20)17-25(24)40-5/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157527
PNG
(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157530
PNG
(CHEMBL3785538)
Show SMILES COc1cc2c(CC\C(=N/N3CCOCC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-16-20-10-11-27(36-37-12-14-41-15-13-37)30(3,4)21(20)17-25(24)40-5/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
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