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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 50040574   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396243
PNG
(CHEMBL2172308)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396240
PNG
(CHEMBL2172311)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CNCC(C)(C)O)cc12
Show InChI InChI=1S/C29H38FN5O3/c1-18(2)32-26(36)21-8-12-23(13-9-21)35-25-15-19(16-31-17-29(3,4)38)5-14-24(25)33-28(35)34-27(37)20-6-10-22(30)11-7-20/h5-7,10-11,14-15,18,21,23,31,38H,8-9,12-13,16-17H2,1-4H3,(H,32,36)(H,33,34,37)/t21-,23+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396260
PNG
(CHEMBL2172324)
Show SMILES CCOC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C29H36N4O3/c1-2-36-28(35)23-12-14-24(15-13-23)33-26-19-21(20-32-17-7-4-8-18-32)11-16-25(26)30-29(33)31-27(34)22-9-5-3-6-10-22/h3,5-6,9-11,16,19,23-24H,2,4,7-8,12-15,17-18,20H2,1H3,(H,30,31,34)/t23-,24+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396264
PNG
(CHEMBL2172304)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(C#N)c(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C34H43FN6O3/c1-21(2)37-31(42)23-8-10-27(11-9-23)41-30-17-22(20-40-15-13-26(14-16-40)34(3,4)44)5-12-29(30)38-33(41)39-32(43)24-6-7-25(19-36)28(35)18-24/h5-7,12,17-18,21,23,26-27,44H,8-11,13-16,20H2,1-4H3,(H,37,42)(H,38,39,43)/t23-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396274
PNG
(CHEMBL2172314)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)23-9-11-27(12-10-23)39-29-18-22(20-38-16-14-25(15-17-38)33(3,4)42)8-13-28(29)36-32(39)37-31(41)24-6-5-7-26(34)19-24/h5-8,13,18-19,21,23,25,27,42H,9-12,14-17,20H2,1-4H3,(H,35,40)(H,36,37,41)/t23-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396272
PNG
(CHEMBL2172317)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(cc2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C34H44N6O3/c1-22(2)36-31(41)26-10-12-28(13-11-26)40-30-19-24(21-39-17-15-27(16-18-39)34(3,4)43)7-14-29(30)37-33(40)38-32(42)25-8-5-23(20-35)6-9-25/h5-9,14,19,22,26-28,43H,10-13,15-18,21H2,1-4H3,(H,36,41)(H,37,38,42)/t26-,28+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396273
PNG
(CHEMBL2172316)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccncc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C32H44N6O3/c1-21(2)34-29(39)23-6-8-26(9-7-23)38-28-19-22(20-37-17-13-25(14-18-37)32(3,4)41)5-10-27(28)35-31(38)36-30(40)24-11-15-33-16-12-24/h5,10-12,15-16,19,21,23,25-26,41H,6-9,13-14,17-18,20H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,26+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396263
PNG
(CHEMBL2172315)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H43F2N5O3/c1-20(2)36-30(41)22-6-8-27(9-7-22)40-29-15-21(19-39-13-11-24(12-14-39)33(3,4)43)5-10-28(29)37-32(40)38-31(42)23-16-25(34)18-26(35)17-23/h5,10,15-18,20,22,24,27,43H,6-9,11-14,19H2,1-4H3,(H,36,41)(H,37,38,42)/t22-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396268
PNG
(CHEMBL2172321)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C34H44N6O3/c1-22(2)36-31(41)25-9-11-28(12-10-25)40-30-19-24(21-39-16-14-27(15-17-39)34(3,4)43)8-13-29(30)37-33(40)38-32(42)26-7-5-6-23(18-26)20-35/h5-8,13,18-19,22,25,27-28,43H,9-12,14-17,21H2,1-4H3,(H,36,41)(H,37,38,42)/t25-,28+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396248
PNG
(CHEMBL2172335)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12
Show InChI InChI=1S/C31H41FN6O2/c1-20(2)34-29(39)24-6-10-26(11-7-24)38-28-17-22(19-37-15-13-21(18-33)14-16-37)3-12-27(28)35-31(38)36-30(40)23-4-8-25(32)9-5-23/h3-5,8-9,12,17,20-21,24,26H,6-7,10-11,13-16,18-19,33H2,1-2H3,(H,34,39)(H,35,36,40)/t24-,26+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396245
PNG
(CHEMBL2172306)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12
Show InChI InChI=1S/C31H39FN6O3/c1-19(2)34-29(40)23-6-10-25(11-7-23)38-27-17-20(18-37-15-13-21(14-16-37)28(33)39)3-12-26(27)35-31(38)36-30(41)22-4-8-24(32)9-5-22/h3-5,8-9,12,17,19,21,23,25H,6-7,10-11,13-16,18H2,1-2H3,(H2,33,39)(H,34,40)(H,35,36,41)/t23-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396239
PNG
(CHEMBL2172312)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12
Show InChI InChI=1S/C31H40FN5O3/c1-19(2)33-28(38)22-8-12-25(13-9-22)37-27-15-20(16-36-17-23(18-36)31(3,4)40)5-14-26(27)34-30(37)35-29(39)21-6-10-24(32)11-7-21/h5-7,10-11,14-15,19,22-23,25,40H,8-9,12-13,16-18H2,1-4H3,(H,33,38)(H,34,35,39)/t22-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396254
PNG
(CHEMBL2172330)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C30H38FN5O2/c1-20(2)32-28(37)23-9-13-25(14-10-23)36-27-18-21(19-35-16-4-3-5-17-35)6-15-26(27)33-30(36)34-29(38)22-7-11-24(31)12-8-22/h6-8,11-12,15,18,20,23,25H,3-5,9-10,13-14,16-17,19H2,1-2H3,(H,32,37)(H,33,34,38)/t23-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396240
PNG
(CHEMBL2172311)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CNCC(C)(C)O)cc12
Show InChI InChI=1S/C29H38FN5O3/c1-18(2)32-26(36)21-8-12-23(13-9-21)35-25-15-19(16-31-17-29(3,4)38)5-14-24(25)33-28(35)34-27(37)20-6-10-22(30)11-7-20/h5-7,10-11,14-15,18,21,23,31,38H,8-9,12-13,16-17H2,1-4H3,(H,32,36)(H,33,34,37)/t21-,23+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396250
PNG
(CHEMBL2172333)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12
Show InChI InChI=1S/C29H37FN6O2/c1-19(2)32-27(37)22-6-10-24(11-7-22)36-26-17-20(18-35-15-13-31-14-16-35)3-12-25(26)33-29(36)34-28(38)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24,31H,6-7,10-11,13-16,18H2,1-2H3,(H,32,37)(H,33,34,38)/t22-,24+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396241
PNG
(CHEMBL2172310)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(C3)C(C)(C)O)cc12
Show InChI InChI=1S/C32H42FN5O3/c1-20(2)34-29(39)23-8-12-26(13-9-23)38-28-17-21(18-37-16-15-24(19-37)32(3,4)41)5-14-27(28)35-31(38)36-30(40)22-6-10-25(33)11-7-22/h5-7,10-11,14,17,20,23-24,26,41H,8-9,12-13,15-16,18-19H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,24?,26+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396239
PNG
(CHEMBL2172312)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12
Show InChI InChI=1S/C31H40FN5O3/c1-19(2)33-28(38)22-8-12-25(13-9-22)37-27-15-20(16-36-17-23(18-36)31(3,4)40)5-14-26(27)34-30(37)35-29(39)21-6-10-24(32)11-7-21/h5-7,10-11,14-15,19,22-23,25,40H,8-9,12-13,16-18H2,1-4H3,(H,33,38)(H,34,35,39)/t22-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396252
PNG
(CHEMBL2172332)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C27H30FN7O2/c1-17(2)31-25(36)20-6-10-22(11-7-20)35-24-13-18(14-34-16-29-15-30-34)3-12-23(24)32-27(35)33-26(37)19-4-8-21(28)9-5-19/h3-5,8-9,12-13,15-17,20,22H,6-7,10-11,14H2,1-2H3,(H,31,36)(H,32,33,37)/t20-,22+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396253
PNG
(CHEMBL2172331)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCS(=O)(=O)CC3)cc12
Show InChI InChI=1S/C29H36FN5O4S/c1-19(2)31-27(36)22-6-10-24(11-7-22)35-26-17-20(18-34-13-15-40(38,39)16-14-34)3-12-25(26)32-29(35)33-28(37)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24H,6-7,10-11,13-16,18H2,1-2H3,(H,31,36)(H,32,33,37)/t22-,24+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396256
PNG
(CHEMBL2172328)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C30H39N5O2/c1-21(2)31-28(36)24-12-14-25(15-13-24)35-27-19-22(20-34-17-7-4-8-18-34)11-16-26(27)32-30(35)33-29(37)23-9-5-3-6-10-23/h3,5-6,9-11,16,19,21,24-25H,4,7-8,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37)/t24-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396259
PNG
(CHEMBL2172325)
Show SMILES CCNC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C29H37N5O2/c1-2-30-27(35)23-12-14-24(15-13-23)34-26-19-21(20-33-17-7-4-8-18-33)11-16-25(26)31-29(34)32-28(36)22-9-5-3-6-10-22/h3,5-6,9-11,16,19,23-24H,2,4,7-8,12-15,17-18,20H2,1H3,(H,30,35)(H,31,32,36)/t23-,24+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396270
PNG
(CHEMBL2172319)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)c(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H43F2N5O3/c1-20(2)36-30(41)22-6-9-25(10-7-22)40-29-17-21(19-39-15-13-24(14-16-39)33(3,4)43)5-12-28(29)37-32(40)38-31(42)23-8-11-26(34)27(35)18-23/h5,8,11-12,17-18,20,22,24-25,43H,6-7,9-10,13-16,19H2,1-4H3,(H,36,41)(H,37,38,42)/t22-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396275
PNG
(CHEMBL2172313)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H45N5O3/c1-22(2)34-30(39)25-11-13-27(14-12-25)38-29-20-23(21-37-18-16-26(17-19-37)33(3,4)41)10-15-28(29)35-32(38)36-31(40)24-8-6-5-7-9-24/h5-10,15,20,22,25-27,41H,11-14,16-19,21H2,1-4H3,(H,34,39)(H,35,36,40)/t25-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396244
PNG
(CHEMBL2172307)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(N)=O)cc12
Show InChI InChI=1S/C30H37FN6O3/c1-18(2)33-28(39)21-8-12-23(13-9-21)37-26-16-19(17-36-15-3-4-25(36)27(32)38)5-14-24(26)34-30(37)35-29(40)20-6-10-22(31)11-7-20/h5-7,10-11,14,16,18,21,23,25H,3-4,8-9,12-13,15,17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,35,40)/t21-,23+,25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396246
PNG
(CHEMBL2172305)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(O)=O)cc12
Show InChI InChI=1S/C31H38FN5O4/c1-19(2)33-28(38)22-6-10-25(11-7-22)37-27-17-20(18-36-15-13-23(14-16-36)30(40)41)3-12-26(27)34-31(37)35-29(39)21-4-8-24(32)9-5-21/h3-5,8-9,12,17,19,22-23,25H,6-7,10-11,13-16,18H2,1-2H3,(H,33,38)(H,40,41)(H,34,35,39)/t22-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396249
PNG
(CHEMBL2172334)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNC(=O)C3)cc12
Show InChI InChI=1S/C29H35FN6O3/c1-18(2)32-27(38)21-6-10-23(11-7-21)36-25-15-19(16-35-14-13-31-26(37)17-35)3-12-24(25)33-29(36)34-28(39)20-4-8-22(30)9-5-20/h3-5,8-9,12,15,18,21,23H,6-7,10-11,13-14,16-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,34,39)/t21-,23+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396266
PNG
(CHEMBL2172302)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H44ClN5O3/c1-21(2)35-30(40)23-9-11-27(12-10-23)39-29-18-22(20-38-16-14-25(15-17-38)33(3,4)42)8-13-28(29)36-32(39)37-31(41)24-6-5-7-26(34)19-24/h5-8,13,18-19,21,23,25,27,42H,9-12,14-17,20H2,1-4H3,(H,35,40)(H,36,37,41)/t23-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396242
PNG
(CHEMBL2172309)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(C)(C)O)cc12
Show InChI InChI=1S/C32H42FN5O3/c1-20(2)34-29(39)23-10-14-25(15-11-23)38-27-18-21(19-37-17-5-6-28(37)32(3,4)41)7-16-26(27)35-31(38)36-30(40)22-8-12-24(33)13-9-22/h7-9,12-13,16,18,20,23,25,28,41H,5-6,10-11,14-15,17,19H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,25+,28-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396261
PNG
(CHEMBL2172323)
Show SMILES COC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C28H34N4O3/c1-35-27(34)22-11-13-23(14-12-22)32-25-18-20(19-31-16-6-3-7-17-31)10-15-24(25)29-28(32)30-26(33)21-8-4-2-5-9-21/h2,4-5,8-10,15,18,22-23H,3,6-7,11-14,16-17,19H2,1H3,(H,29,30,33)/t22-,23+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396247
PNG
(CHEMBL2172336)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3C(O)=O)cc12
Show InChI InChI=1S/C31H38FN5O4/c1-19(2)33-28(38)22-9-13-24(14-10-22)37-27-17-20(18-36-16-4-3-5-26(36)30(40)41)6-15-25(27)34-31(37)35-29(39)21-7-11-23(32)12-8-21/h6-8,11-12,15,17,19,22,24,26H,3-5,9-10,13-14,16,18H2,1-2H3,(H,33,38)(H,40,41)(H,34,35,39)/t22-,24+,26?
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396269
PNG
(CHEMBL2172320)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(c2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C34H43FN6O3/c1-21(2)37-31(42)24-6-8-28(9-7-24)41-30-17-22(20-40-13-11-26(12-14-40)34(3,4)44)5-10-29(30)38-33(41)39-32(43)25-15-23(19-36)16-27(35)18-25/h5,10,15-18,21,24,26,28,44H,6-9,11-14,20H2,1-4H3,(H,37,42)(H,38,39,43)/t24-,28+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396267
PNG
(CHEMBL2172301)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H43ClFN5O3/c1-20(2)36-30(41)22-6-8-27(9-7-22)40-29-15-21(19-39-13-11-24(12-14-39)33(3,4)43)5-10-28(29)37-32(40)38-31(42)23-16-25(34)18-26(35)17-23/h5,10,15-18,20,22,24,27,43H,6-9,11-14,19H2,1-4H3,(H,36,41)(H,37,38,42)/t22-,27+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396265
PNG
(CHEMBL2172303)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H43ClFN5O3/c1-20(2)36-30(41)22-6-9-25(10-7-22)40-29-17-21(19-39-15-13-24(14-16-39)33(3,4)43)5-12-28(29)37-32(40)38-31(42)23-8-11-27(35)26(34)18-23/h5,8,11-12,17-18,20,22,24-25,43H,6-7,9-10,13-16,19H2,1-4H3,(H,36,41)(H,37,38,42)/t22-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396252
PNG
(CHEMBL2172332)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Cn3cncn3)cc12
Show InChI InChI=1S/C27H30FN7O2/c1-17(2)31-25(36)20-6-10-22(11-7-20)35-24-13-18(14-34-16-29-15-30-34)3-12-23(24)32-27(35)33-26(37)19-4-8-21(28)9-5-19/h3-5,8-9,12-13,15-17,20,22H,6-7,10-11,14H2,1-2H3,(H,31,36)(H,32,33,37)/t20-,22+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396254
PNG
(CHEMBL2172330)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C30H38FN5O2/c1-20(2)32-28(37)23-9-13-25(14-10-23)36-27-18-21(19-35-16-4-3-5-17-35)6-15-26(27)33-30(36)34-29(38)22-7-11-24(31)12-8-22/h6-8,11-12,15,18,20,23,25H,3-5,9-10,13-14,16-17,19H2,1-2H3,(H,32,37)(H,33,34,38)/t23-,25+
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396243
PNG
(CHEMBL2172308)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396245
PNG
(CHEMBL2172306)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12
Show InChI InChI=1S/C31H39FN6O3/c1-19(2)34-29(40)23-6-10-25(11-7-23)38-27-17-20(18-37-15-13-21(14-16-37)28(33)39)3-12-26(27)35-31(38)36-30(41)22-4-8-24(32)9-5-22/h3-5,8-9,12,17,19,21,23,25H,6-7,10-11,13-16,18H2,1-2H3,(H2,33,39)(H,34,40)(H,35,36,41)/t23-,25+
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396262
PNG
(CHEMBL2172322)
Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)S(=O)(=O)NCC=C)nc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C30H39N5O4S/c1-2-15-31-40(38,39)26-8-6-7-24(19-26)29(37)33-30-32-27-18-23(20-34-16-4-3-5-17-34)11-14-28(27)35(30)25-12-9-22(21-36)10-13-25/h2,6-8,11,14,18-19,22,25,31,36H,1,3-5,9-10,12-13,15-17,20-21H2,(H,32,33,37)/t22-,25+
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396250
PNG
(CHEMBL2172333)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12
Show InChI InChI=1S/C29H37FN6O2/c1-19(2)32-27(37)22-6-10-24(11-7-22)36-26-17-20(18-35-15-13-31-14-16-35)3-12-25(26)33-29(36)34-28(38)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24,31H,6-7,10-11,13-16,18H2,1-2H3,(H,32,37)(H,33,34,38)/t22-,24+
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396256
PNG
(CHEMBL2172328)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C30H39N5O2/c1-21(2)31-28(36)24-12-14-25(15-13-24)35-27-19-22(20-34-17-7-4-8-18-34)11-16-26(27)32-30(35)33-29(37)23-9-5-3-6-10-23/h3,5-6,9-11,16,19,21,24-25H,4,7-8,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37)/t24-,25+
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396271
PNG
(CHEMBL2172318)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccnc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C32H44N6O3/c1-21(2)34-29(39)23-8-10-26(11-9-23)38-28-18-22(20-37-16-13-25(14-17-37)32(3,4)41)7-12-27(28)35-31(38)36-30(40)24-6-5-15-33-19-24/h5-7,12,15,18-19,21,23,25-26,41H,8-11,13-14,16-17,20H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,26+
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396249
PNG
(CHEMBL2172334)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNC(=O)C3)cc12
Show InChI InChI=1S/C29H35FN6O3/c1-18(2)32-27(38)21-6-10-23(11-7-21)36-25-15-19(16-35-14-13-31-26(37)17-35)3-12-24(25)33-29(36)34-28(39)20-4-8-22(30)9-5-20/h3-5,8-9,12,15,18,21,23H,6-7,10-11,13-14,16-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,34,39)/t21-,23+
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396255
PNG
(CHEMBL2172329)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C24H27FN4O2/c1-15(2)26-22(30)17-9-13-19(14-10-17)29-21-6-4-3-5-20(21)27-24(29)28-23(31)16-7-11-18(25)12-8-16/h3-8,11-12,15,17,19H,9-10,13-14H2,1-2H3,(H,26,30)(H,27,28,31)/t17-,19+
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396259
PNG
(CHEMBL2172325)
Show SMILES CCNC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C29H37N5O2/c1-2-30-27(35)23-12-14-24(15-13-23)34-26-19-21(20-33-17-7-4-8-18-33)11-16-25(26)31-29(34)32-28(36)22-9-5-3-6-10-22/h3,5-6,9-11,16,19,23-24H,2,4,7-8,12-15,17-18,20H2,1H3,(H,30,35)(H,31,32,36)/t23-,24+
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396253
PNG
(CHEMBL2172331)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCS(=O)(=O)CC3)cc12
Show InChI InChI=1S/C29H36FN5O4S/c1-19(2)31-27(36)22-6-10-24(11-7-22)35-26-17-20(18-34-13-15-40(38,39)16-14-34)3-12-25(26)32-29(35)33-28(37)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24H,6-7,10-11,13-16,18H2,1-2H3,(H,31,36)(H,32,33,37)/t22-,24+
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396248
PNG
(CHEMBL2172335)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12
Show InChI InChI=1S/C31H41FN6O2/c1-20(2)34-29(39)24-6-10-26(11-7-24)38-28-17-22(19-37-15-13-21(18-33)14-16-37)3-12-27(28)35-31(38)36-30(40)23-4-8-25(32)9-5-23/h3-5,8-9,12,17,20-21,24,26H,6-7,10-11,13-16,18-19,33H2,1-2H3,(H,34,39)(H,35,36,40)/t24-,26+
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396244
PNG
(CHEMBL2172307)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(N)=O)cc12
Show InChI InChI=1S/C30H37FN6O3/c1-18(2)33-28(39)21-8-12-23(13-9-21)37-26-16-19(17-36-15-3-4-25(36)27(32)38)5-14-24(26)34-30(37)35-29(40)20-6-10-22(31)11-7-20/h5-7,10-11,14,16,18,21,23,25H,3-4,8-9,12-13,15,17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,35,40)/t21-,23+,25-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396241
PNG
(CHEMBL2172310)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(C3)C(C)(C)O)cc12
Show InChI InChI=1S/C32H42FN5O3/c1-20(2)34-29(39)23-8-12-26(13-9-23)38-28-17-21(18-37-16-15-24(19-37)32(3,4)41)5-14-27(28)35-31(38)36-30(40)22-6-10-25(33)11-7-22/h5-7,10-11,14,17,20,23-24,26,41H,8-9,12-13,15-16,18-19H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,24?,26+
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396251
PNG
(CHEMBL2172337)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Oc3ccccn3)cc12
Show InChI InChI=1S/C29H30FN5O3/c1-18(2)32-27(36)20-8-12-22(13-9-20)35-25-17-23(38-26-5-3-4-16-31-26)14-15-24(25)33-29(35)34-28(37)19-6-10-21(30)11-7-19/h3-7,10-11,14-18,20,22H,8-9,12-13H2,1-2H3,(H,32,36)(H,33,34,37)/t20-,22+
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n/an/a 8.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396242
PNG
(CHEMBL2172309)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(C)(C)O)cc12
Show InChI InChI=1S/C32H42FN5O3/c1-20(2)34-29(39)23-10-14-25(15-11-23)38-27-18-21(19-37-17-5-6-28(37)32(3,4)41)7-16-26(27)35-31(38)36-30(40)22-8-12-24(33)13-9-22/h7-9,12-13,16,18,20,23,25,28,41H,5-6,10-11,14-15,17,19H2,1-4H3,(H,34,39)(H,35,36,40)/t23-,25+,28-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay


J Med Chem 55: 6523-40 (2012)


Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT
More data for this
Ligand-Target Pair
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