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Compile Data Set for Download or QSAR

Found 1079 hits from Chugai Seiyaku Kabushiki Kaisha   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178978
PNG
(US9126931, 277)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCC(N)CC1)C#N
Show InChI InChI=1S/C24H23BrN4O/c1-24(2)17-11-20(29-7-5-14(27)6-8-29)18(25)10-16(17)22(30)21-15-4-3-13(12-26)9-19(15)28-23(21)24/h3-4,9-11,14,28H,5-8,27H2,1-2H3
PDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

n/an/a 0.168n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179073
PNG
(US9126931, 823)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC(O)CC1
Show InChI InChI=1S/C31H36N4O2/c1-4-20-16-24-25(17-27(20)35-11-7-21(8-12-35)34-13-9-22(36)10-14-34)31(2,3)30-28(29(24)37)23-6-5-19(18-32)15-26(23)33-30/h5-6,15-17,21-22,33,36H,4,7-14H2,1-3H3
PDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179072
PNG
(US9126931, 822)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-8-20(9-13-33)32-10-5-11-32)29(2,3)28-26(27(22)34)21-7-6-18(17-30)14-24(21)31-28/h6-7,14-16,20,31H,4-5,8-13H2,1-3H3
PDB

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179071
PNG
(US9126931, 796)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C1CCC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C29H31BrN4O/c1-16-14-33(15-17(2)34(16)19-6-5-7-19)25-12-22-21(11-23(25)30)27(35)26-20-9-8-18(13-31)10-24(20)32-28(26)29(22,3)4/h8-12,16-17,19,32H,5-7,14-15H2,1-4H3/t16-,17+
PDB

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PC sid
UniChem

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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179026
PNG
(US9126931, 543)
Show SMILES CC(C)(C)N1CCN(CC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C21CCOCC1
Show InChI InChI=1S/C29H31BrN4O2/c1-28(2,3)34-10-8-33(9-11-34)24-16-21-20(15-22(24)30)26(35)25-19-5-4-18(17-31)14-23(19)32-27(25)29(21)6-12-36-13-7-29/h4-5,14-16,32H,6-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars

n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178992
PNG
(US9126931, 338)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C29H28N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h1,8-9,14-16,20,31H,5-7,10-13H2,2-3H3
PDB

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PC cid
PC sid
UniChem

Similars

n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179002
PNG
(US9126931, 403)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN4O2/c1-28(2)21-15-24(33-7-5-18(6-8-33)32-9-11-35-12-10-32)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
PDB

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PC sid
UniChem

Similars

n/an/a 0.391n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179069
PNG
(US9126931, 786)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C29H33N5O2/c1-6-19-14-21-22(15-24(19)33-9-11-34(12-10-33)25(35)17-32(4)5)29(2,3)28-26(27(21)36)20-8-7-18(16-30)13-23(20)31-28/h7-8,13-15,31H,6,9-12,17H2,1-5H3
PDB

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UniProtKB/SwissProt

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DrugBank
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PC sid
UniChem

Similars

n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178997
PNG
(US9126931, 359)
Show SMILES CC(C)OCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C32H34N4O3/c1-20(2)39-13-5-6-22-15-25-26(16-28(22)36-11-9-35(10-12-36)23-18-38-19-23)32(3,4)31-29(30(25)37)24-8-7-21(17-33)14-27(24)34-31/h7-8,14-16,20,23,34H,9-13,18-19H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC sid
UniChem

Similars

n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179033
PNG
(US9126931, 601)
Show SMILES CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(-c3nn[nH]n3)c(O)cc12
Show InChI InChI=1S/C19H14ClN5O2/c1-19(2)12-7-14(26)11(18-22-24-25-23-18)6-10(12)16(27)15-9-4-3-8(20)5-13(9)21-17(15)19/h3-7,21,26H,1-2H3,(H,22,23,24,25)
PDB

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UniProtKB/SwissProt

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UniChem
n/an/a 0.456n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179083
PNG
(US9126931, 882)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cnc(cc12)N1CCC(CC1)N1CCCCC1)C#N
Show InChI InChI=1S/C28H31N5O/c1-28(2)22-15-24(33-12-8-19(9-13-33)32-10-4-3-5-11-32)30-17-21(22)26(34)25-20-7-6-18(16-29)14-23(20)31-27(25)28/h6-7,14-15,17,19,31H,3-5,8-13H2,1-2H3
PDB

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UniProtKB/SwissProt

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DrugBank
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UniChem

Similars

n/an/a 0.494n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179000
PNG
(US9126931, 380)
Show SMILES CCN(CC)CCOc1cc2c(cc1C(C)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C27H29N3O3/c1-6-30(7-2)10-11-33-23-14-21-20(13-19(23)16(3)31)25(32)24-18-9-8-17(15-28)12-22(18)29-26(24)27(21,4)5/h8-9,12-14,29H,6-7,10-11H2,1-5H3
PDB

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UniChem

Similars

n/an/a 0.530n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178993
PNG
(US9126931, 340)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C33H34N4O/c1-33(2)27-19-29(37-15-13-36(14-16-37)24-7-4-8-24)23(11-9-21-5-3-6-21)18-26(27)31(38)30-25-12-10-22(20-34)17-28(25)35-32(30)33/h10,12,17-19,21,24,35H,3-8,13-16H2,1-2H3
PDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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UniChem

Similars

n/an/a 0.580n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179019
PNG
(US9126931, 486)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOC3)c(cc12)N1CCOCC1)C#N
Show InChI InChI=1S/C27H27N3O4/c1-27(2)20-13-22(30-6-9-32-10-7-30)23(34-17-5-8-33-15-17)12-19(20)25(31)24-18-4-3-16(14-28)11-21(18)29-26(24)27/h3-4,11-13,17,29H,5-10,15H2,1-2H3
PDB

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UniChem

Similars

n/an/a 0.590n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179076
PNG
(US9126931, 832)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCCCO
Show InChI InChI=1S/C29H34N4O2/c1-4-19-15-22-23(16-25(19)33-11-8-20(9-12-33)31-10-5-13-34)29(2,3)28-26(27(22)35)21-7-6-18(17-30)14-24(21)32-28/h6-7,14-16,20,31-32,34H,4-5,8-13H2,1-3H3
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179075
PNG
(US9126931, 829)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H37N5O/c1-5-21-17-24-25(18-27(21)36-10-8-22(9-11-36)35-14-12-34(4)13-15-35)31(2,3)30-28(29(24)37)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,5,8-15H2,1-4H3
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179030
PNG
(US9126931, 579)
Show SMILES CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4c(F)c(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C26H27FN4O/c1-15(2)30-9-11-31(12-10-30)17-6-8-18-20(13-17)26(3,4)25-21(24(18)32)19-7-5-16(14-28)22(27)23(19)29-25/h5-8,13,15,29H,9-12H2,1-4H3
PDB

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n/an/a 0.770n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178985
PNG
(US9126931, 304)
Show SMILES Cn1cc(cn1)-c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCOCC1
Show InChI InChI=1S/C27H25N5O2/c1-27(2)21-12-23(32-6-8-34-9-7-32)19(17-14-29-31(3)15-17)11-20(21)25(33)24-18-5-4-16(13-28)10-22(18)30-26(24)27/h4-5,10-12,14-15,30H,6-9H2,1-3H3
PDB

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Similars

n/an/a 0.810n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179079
PNG
(US9126931, 849)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCC1CC1
Show InChI InChI=1S/C30H34N4O/c1-4-20-14-23-24(15-26(20)34-11-9-21(10-12-34)32-17-18-5-6-18)30(2,3)29-27(28(23)35)22-8-7-19(16-31)13-25(22)33-29/h7-8,13-15,18,21,32-33H,4-6,9-12,17H2,1-3H3
PDB

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Similars

n/an/a 0.813n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179009
PNG
(US9126931, 429)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1=CCNCC1)C#N
Show InChI InChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3
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n/an/a 0.830n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178963
PNG
(US9126931, 177)
Show SMILES CC(C)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C27H29N3O/c1-16(2)30-11-9-18(10-12-30)19-6-8-20-22(14-19)27(3,4)26-24(25(20)31)21-7-5-17(15-28)13-23(21)29-26/h5-8,13-14,16,18,29H,9-12H2,1-4H3
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n/an/a 0.840n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179027
PNG
(US9126931, 546)
Show SMILES O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(N3CCC(CC3)N3CCCC3)c(cc12)C#N
Show InChI InChI=1S/C31H31N5O2/c32-18-20-3-4-23-26(15-20)34-30-28(23)29(37)24-16-21(19-33)27(17-25(24)31(30)7-13-38-14-8-31)36-11-5-22(6-12-36)35-9-1-2-10-35/h3-4,15-17,22,34H,1-2,5-14H2
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n/an/a 0.860n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178988
PNG
(US9126931, 319)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C31H30N4O2/c1-31(2)25-15-27(35-11-9-34(10-12-35)22-17-37-18-22)21(7-5-19-3-4-19)14-24(25)29(36)28-23-8-6-20(16-32)13-26(23)33-30(28)31/h6,8,13-15,19,22,33H,3-4,9-12,17-18H2,1-2H3
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n/an/a 0.881n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179028
PNG
(US9126931, 550)
Show SMILES CC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCOCC3)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C33H34N4O3/c1-2-3-23-19-26-27(20-29(23)37-10-6-24(7-11-37)36-12-16-40-17-13-36)33(8-14-39-15-9-33)32-30(31(26)38)25-5-4-22(21-34)18-28(25)35-32/h4-5,18-20,24,35H,6-17H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178980
PNG
(US9126931, 286)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H25BrN4O2/c1-26(2)19-11-22(31-7-5-30(6-8-31)16-13-33-14-16)20(27)10-18(19)24(32)23-17-4-3-15(12-28)9-21(17)29-25(23)26/h3-4,9-11,16,29H,5-8,13-14H2,1-2H3
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n/an/a 0.952n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178939
PNG
(US9126931, 109)
Show SMILES C[C@H]1CN(CCN1c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1)C1CCC1
Show InChI InChI=1S/C28H30N4O/c1-17-16-31(19-5-4-6-19)11-12-32(17)20-8-10-21-23(14-20)28(2,3)27-25(26(21)33)22-9-7-18(15-29)13-24(22)30-27/h7-10,13-14,17,19,30H,4-6,11-12,16H2,1-3H3/t17-/m0/s1
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Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178970
PNG
(US9126931, 226)
Show SMILES CN1CCC(CC1)Oc1cc2c(cc1[N+]([O-])=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C25H24N4O4/c1-25(2)18-12-21(33-15-6-8-28(3)9-7-15)20(29(31)32)11-17(18)23(30)22-16-5-4-14(13-26)10-19(16)27-24(22)25/h4-5,10-12,15,27H,6-9H2,1-3H3
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n/an/a 0.991n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178987
PNG
(US9126931, 314)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CCN3CCN(CC3)C3COC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C36H40N6O3/c1-36(2)30-18-32(42-14-12-41(13-15-42)27-22-45-23-27)25(4-3-7-39-8-10-40(11-9-39)26-20-44-21-26)17-29(30)34(43)33-28-6-5-24(19-37)16-31(28)38-35(33)36/h5-6,16-18,26-27,38H,7-15,20-23H2,1-2H3
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n/an/a 0.996n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178995
PNG
(US9126931, 355)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CCCCO)CC1
Show InChI InChI=1S/C30H36N4O2/c1-4-7-21-17-23-24(18-26(21)34-13-11-33(12-14-34)10-5-6-15-35)30(2,3)29-27(28(23)36)22-9-8-20(19-31)16-25(22)32-29/h8-9,16-18,32,35H,4-7,10-15H2,1-3H3
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n/an/a 1.09n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178981
PNG
(US9126931, 290)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1CCS(=O)(=O)CC1)C#N
Show InChI InChI=1S/C28H29BrN4O3S/c1-28(2)21-15-24(33-9-7-32(8-10-33)18-5-11-37(35,36)12-6-18)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
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n/an/a 1.13n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179008
PNG
(US9126931, 426)
Show SMILES CC(C)(O)C#Cc1ccc2c(c1)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C24H20N2O2/c1-23(2,28)10-9-14-6-8-18-17(11-14)21(27)20-16-7-5-15(13-25)12-19(16)26-22(20)24(18,3)4/h5-8,11-12,26,28H,1-4H3
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n/an/a 1.17n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178974
PNG
(US9126931, 256)
Show SMILES CCN(CC)CCS(=O)(=O)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-6-29(7-2)10-11-34(31,32)22-13-18-19(14-21(22)33-5)26(3,4)25-23(24(18)30)17-9-8-16(15-27)12-20(17)28-25/h8-9,12-14,28H,6-7,10-11H2,1-5H3
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n/an/a 1.34n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178928
PNG
(US9126931, 73)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC3CCN(CCO)CC3)cc12)C#N
Show InChI InChI=1S/C26H27N3O3/c1-26(2)21-14-18(32-17-7-9-29(10-8-17)11-12-30)4-6-19(21)24(31)23-20-5-3-16(15-27)13-22(20)28-25(23)26/h3-6,13-14,17,28,30H,7-12H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179065
PNG
(US9126931, 760)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C32H36N4O3/c1-32(2)25-18-27(36-12-10-35(11-13-36)21-4-3-5-21)28(39-22-8-14-38-15-9-22)17-24(25)30(37)29-23-7-6-20(19-33)16-26(23)34-31(29)32/h6-7,16-18,21-22,34H,3-5,8-15H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 1.53n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179007
PNG
(US9126931, 424)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCC[C@H]1CN1CCCC1)C#N
Show InChI InChI=1S/C28H30N4O/c1-28(2)23-10-8-19(32-13-5-6-20(32)17-31-11-3-4-12-31)15-22(23)26(33)25-21-9-7-18(16-29)14-24(21)30-27(25)28/h7-10,14-15,20,30H,3-6,11-13,17H2,1-2H3/t20-/m0/s1
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n/an/a 1.57n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179020
PNG
(US9126931, 501)
Show SMILES CC(C)Oc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1O[C@@H]1CCN(C1)C1CCC1
Show InChI InChI=1S/C30H33N3O3/c1-17(2)35-25-13-22-23(14-26(25)36-20-10-11-33(16-20)19-6-5-7-19)30(3,4)29-27(28(22)34)21-9-8-18(15-31)12-24(21)32-29/h8-9,12-14,17,19-20,32H,5-7,10-11,16H2,1-4H3/t20-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178979
PNG
(US9126931, 283)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(OC3CCN(CC3)C3COC3)cc12)C#N
Show InChI InChI=1S/C29H27N3O3/c1-4-18-12-22-23(13-25(18)35-20-7-9-32(10-8-20)19-15-34-16-19)29(2,3)28-26(27(22)33)21-6-5-17(14-30)11-24(21)31-28/h1,5-6,11-13,19-20,31H,7-10,15-16H2,2-3H3
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n/an/a 1.63n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178938
PNG
(US9126931, 104)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCC(F)(F)CC1)C#N
Show InChI InChI=1S/C29H30F2N4O/c1-28(2)23-16-20(34-11-7-19(8-12-34)35-13-9-29(30,31)10-14-35)4-6-21(23)26(36)25-22-5-3-18(17-32)15-24(22)33-27(25)28/h3-6,15-16,19,33H,7-14H2,1-2H3
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n/an/a 1.68n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178998
PNG
(US9126931, 364)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C30H34N4O/c1-4-6-20-16-23-24(17-26(20)34-13-11-33(12-14-34)21-7-5-8-21)30(2,3)29-27(28(23)35)22-10-9-19(18-31)15-25(22)32-29/h9-10,15-17,21,32H,4-8,11-14H2,1-3H3
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n/an/a 1.77n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178990
PNG
(US9126931, 331)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C3=CCNCC3)c(cc12)N1CCC(CC1)N1CCCC1)C#N
Show InChI InChI=1S/C33H37N5O/c1-33(2)27-19-29(38-15-9-23(10-16-38)37-13-3-4-14-37)25(22-7-11-35-12-8-22)18-26(27)31(39)30-24-6-5-21(20-34)17-28(24)36-32(30)33/h5-7,17-19,23,35-36H,3-4,8-16H2,1-2H3
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n/an/a 1.78n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179086
PNG
(US9126931, 916)
Show SMILES CCc1cc2C(=O)c3c([nH]c4nc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C28H31N5O/c1-4-17-14-21-22(15-23(17)33-12-10-32(11-13-33)19-6-5-7-19)28(2,3)26-24(25(21)34)20-9-8-18(16-29)30-27(20)31-26/h8-9,14-15,19H,4-7,10-13H2,1-3H3,(H,30,31)
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n/an/a 1.84n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179003
PNG
(US9126931, 407)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)NS(C)(=O)=O)C#N
Show InChI InChI=1S/C25H25ClN4O3S/c1-25(2)18-12-21(30-8-6-15(7-9-30)29-34(3,32)33)19(26)11-17(18)23(31)22-16-5-4-14(13-27)10-20(16)28-24(22)25/h4-5,10-12,15,28-29H,6-9H2,1-3H3
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n/an/a 1.86n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179078
PNG
(US9126931, 847)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NC1CCCCC1
Show InChI InChI=1S/C32H38N4O/c1-4-21-17-25-26(18-28(21)36-14-12-23(13-15-36)34-22-8-6-5-7-9-22)32(2,3)31-29(30(25)37)24-11-10-20(19-33)16-27(24)35-31/h10-11,16-18,22-23,34-35H,4-9,12-15H2,1-3H3
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n/an/a 1.89n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179056
PNG
(US9126931, 711)
Show SMILES COc1ccc2C(=O)c3c([nH]c4c(N)c(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C20H17N3O2/c1-20(2)14-8-11(25-3)5-7-12(14)18(24)15-13-6-4-10(9-21)16(22)17(13)23-19(15)20/h4-8,23H,22H2,1-3H3
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n/an/a 1.93n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50222709
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)
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MMDB

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n/an/a 2n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178964
PNG
(US9126931, 179)
Show SMILES CCNC(=O)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C27H28N4O2/c1-4-29-26(33)31-11-9-17(10-12-31)18-6-8-19-21(14-18)27(2,3)25-23(24(19)32)20-7-5-16(15-28)13-22(20)30-25/h5-8,13-14,17,30H,4,9-12H2,1-3H3,(H,29,33)
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n/an/a 2.00n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178986
PNG
(US9126931, 306)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C=C)c(cc12)N1CCOCC1)C#N
Show InChI InChI=1S/C25H23N3O2/c1-4-16-12-18-19(13-21(16)28-7-9-30-10-8-28)25(2,3)24-22(23(18)29)17-6-5-15(14-26)11-20(17)27-24/h4-6,11-13,27H,1,7-10H2,2-3H3
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n/an/a 2.05n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178982
PNG
(US9126931, 293)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C27H27BrN4O/c1-27(2)20-14-23(32-10-8-31(9-11-32)17-4-3-5-17)21(28)13-19(20)25(33)24-18-7-6-16(15-29)12-22(18)30-26(24)27/h6-7,12-14,17,30H,3-5,8-11H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178957
PNG
(US9126931, 157)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NCCNS(N)(=O)=O)C#N
Show InChI InChI=1S/C22H21N5O4S/c1-22(2)16-10-13(21(29)25-7-8-26-32(24,30)31)4-6-14(16)19(28)18-15-5-3-12(11-23)9-17(15)27-20(18)22/h3-6,9-10,26-27H,7-8H2,1-2H3,(H,25,29)(H2,24,30,31)
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n/an/a 2.12n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
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