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12 similar compounds to monomer 50396261

Compile data set for download or QSAR
Wt: 584.7
BDBM50396268
Wt: 584.7
BDBM50396272
Wt: 560.7
BDBM50396273
Wt: 559.7
BDBM50396275
Wt: 563.6
BDBM50396246
Wt: 563.6
BDBM50396247
Wt: 519.6
BDBM50396254
Wt: 501.6
BDBM50396256
Wt: 459.5
BDBM50396257
Wt: 515.6
BDBM50396258
Wt: 487.6
BDBM50396259
Wt: 488.6
BDBM50396260

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50396268,50396272,50396273,50396275,50396246,50396247,50396254,50396256,50396257,50396258,50396259,50396260   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 345n/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))
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))
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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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))
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))
BDBM50396257
PNG
(CHEMBL2172327)
Show SMILES NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N5O2/c28-25(33)20-10-12-22(13-11-20)32-24-17-19(18-31-15-5-2-6-16-31)9-14-23(24)29-27(32)30-26(34)21-7-3-1-4-8-21/h1,3-4,7-9,14,17,20,22H,2,5-6,10-13,15-16,18H2,(H2,28,33)(H,29,30,34)/t20-,22+
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n/an/a 44n/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))
BDBM50396258
PNG
(CHEMBL2172326)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C31H41N5O2/c1-3-35(4-2)30(38)25-14-16-26(17-15-25)36-28-21-23(22-34-19-9-6-10-20-34)13-18-27(28)32-31(36)33-29(37)24-11-7-5-8-12-24/h5,7-8,11-13,18,21,25-26H,3-4,6,9-10,14-17,19-20,22H2,1-2H3,(H,32,33,37)/t25-,26+
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n/an/a 562n/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))
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))
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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n/an/a 18n/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))
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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n/an/a 1.60n/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))
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 2n/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))
BDBM50396257
PNG
(CHEMBL2172327)
Show SMILES NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N5O2/c28-25(33)20-10-12-22(13-11-20)32-24-17-19(18-31-15-5-2-6-16-31)9-14-23(24)29-27(32)30-26(34)21-7-3-1-4-8-21/h1,3-4,7-9,14,17,20,22H,2,5-6,10-13,15-16,18H2,(H2,28,33)(H,29,30,34)/t20-,22+
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n/an/a 18n/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))
BDBM50396258
PNG
(CHEMBL2172326)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12
Show InChI InChI=1S/C31H41N5O2/c1-3-35(4-2)30(38)25-14-16-26(17-15-25)36-28-21-23(22-34-19-9-6-10-20-34)13-18-27(28)32-31(36)33-29(37)24-11-7-5-8-12-24/h5,7-8,11-13,18,21,25-26H,3-4,6,9-10,14-17,19-20,22H2,1-2H3,(H,32,33,37)/t25-,26+
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n/an/a 24n/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 2n/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))
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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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
Hepatocyte growth factor 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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n/an/a 5.12E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of c-Met 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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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))
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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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))
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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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))
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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n/an/a 2n/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))
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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n/an/a 2n/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))
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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n/an/a 144n/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