BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1767 hits of ic50 data for polymerid = 5809   
Target
(Institution)
LigandTarget
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
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50062357
PNG
(AP26113 | CHEMBL3397300)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50018836
PNG
(CHEMBL3286826)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3nc(cnc3N)-c12
Show InChI InChI=1S/C20H21FN6O3/c1-10-13-7-11(21)5-6-12(13)20(28)26(2)9-15-16(18(29-4)25-27(15)3)14-8-23-17(22)19(24-14)30-10/h5-8,10H,9H2,1-4H3,(H2,22,23)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185237
PNG
(CHEMBL3824308)
Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C31H43ClN7O2P/c1-5-42(40,6-2)29-10-8-7-9-27(29)34-30-25(32)22-33-31(36-30)35-26-12-11-24(21-28(26)41-4)38-15-13-23(14-16-38)39-19-17-37(3)18-20-39/h7-12,21-23H,5-6,13-20H2,1-4H3,(H2,33,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.120n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
PubMed
n/an/a 0.150n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185275
PNG
(CHEMBL3823235)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H32ClN6O3P/c1-35-22-16-18(32-12-10-31(11-13-32)14-15-33)8-9-20(22)29-25-27-17-19(26)24(30-25)28-21-6-4-5-7-23(21)36(2,3)34/h4-9,16-17,33H,10-15H2,1-3H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.180n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50018835
PNG
(CHEMBL3286825)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3cc(cnc3N)-c12
Show InChI InChI=1S/C21H22FN5O3/c1-11-15-8-13(22)5-6-14(15)21(28)26(2)10-16-18(20(29-4)25-27(16)3)12-7-17(30-11)19(23)24-9-12/h5-9,11H,10H2,1-4H3,(H2,23,24)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185280
PNG
(CHEMBL3822611)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H30ClN6O2P/c1-30-11-13-31(14-12-30)17-9-10-19(21(15-17)33-2)28-24-26-16-18(25)23(29-24)27-20-7-5-6-8-22(20)34(3,4)32/h5-10,15-16H,11-14H2,1-4H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.180n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378)
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50018830
PNG
(CHEMBL3286830)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EML4-fused ALK F1174L mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378)
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50018833
PNG
(CHEMBL3286823)
Show SMILES C[C@H]1Oc2nc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12
Show InChI InChI=1S/C20H21FN6O2/c1-10-17-15-8-23-18(22)19(24-15)29-11(2)14-7-12(21)5-6-13(14)20(28)26(3)9-16(17)27(4)25-10/h5-8,11H,9H2,1-4H3,(H2,22,23)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185284
PNG
(CHEMBL3823549)
Show SMILES COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C26H33ClN5O3P/c1-34-23-17-19(35-16-8-15-32-13-6-7-14-32)11-12-21(23)30-26-28-18-20(27)25(31-26)29-22-9-4-5-10-24(22)36(2,3)33/h4-5,9-12,17-18H,6-8,13-16H2,1-3H3,(H2,28,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.220n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185281
PNG
(CHEMBL3823416)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1
Show InChI InChI=1S/C23H27ClN5O3P/c1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.240n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185268
PNG
(CHEMBL3824327)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-13-11-21(12-14-35)36-15-17-37(18-16-36)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.280n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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=1/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185290
PNG
(CHEMBL3824304)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)P(C)(C)=O
Show InChI InChI=1S/C22H26ClN4O4PS/c1-14(2)33(29,30)20-9-7-6-8-18(20)25-21-16(23)13-24-22(27-21)26-17-11-10-15(32(4,5)28)12-19(17)31-3/h6-14H,1-5H3,(H2,24,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.310n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185272
PNG
(CHEMBL3823107)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CC[C@H](C1)N(C)C
Show InChI InChI=1/C25H32ClN6O2P/c1-31(2)18-12-13-32(16-18)17-10-11-20(22(14-17)34-3)29-25-27-15-19(26)24(30-25)28-21-8-6-7-9-23(21)35(4,5)33/h6-11,14-15,18H,12-13,16H2,1-5H3,(H2,27,28,29,30)/t18-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.330n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185286
PNG
(CHEMBL3823256)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)P(C)(C)=O
Show InChI InChI=1S/C20H22ClN4O4PS/c1-29-17-11-13(30(2,3)26)9-10-15(17)24-20-22-12-14(21)19(25-20)23-16-7-5-6-8-18(16)31(4,27)28/h5-12H,1-4H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.330n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185283
PNG
(CHEMBL3823603)
Show SMILES COc1cc(OC2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1/C24H29ClN5O3P/c1-30-12-11-17(15-30)33-16-9-10-19(21(13-16)32-2)28-24-26-14-18(25)23(29-24)27-20-7-5-6-8-22(20)34(3,4)31/h5-10,13-14,17H,11-12,15H2,1-4H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.330n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50018838
PNG
(CHEMBL3286828)
Show SMILES C[C@H]1Oc2nc(cnc2N)-c2cc(ccc2CN(C)C(=O)c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C22H21FN4O4S/c1-12-17-8-14(23)5-7-16(17)22(28)27(2)11-13-4-6-15(32(3,29)30)9-18(13)19-10-25-20(24)21(26-19)31-12/h4-10,12H,11H2,1-3H3,(H2,24,25)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185278
PNG
(CHEMBL3823017)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(O)CC1
Show InChI InChI=1S/C24H29ClN5O3P/c1-33-21-14-16(30-12-10-17(31)11-13-30)8-9-19(21)28-24-26-15-18(25)23(29-24)27-20-6-4-5-7-22(20)34(2,3)32/h4-9,14-15,17,31H,10-13H2,1-3H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.360n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185140
PNG
(AP-26113 | BRIGATINIB | Brigatinib)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/a 0.370n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185245
PNG
(CHEMBL3823190)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)C1CCN(C)CC1
Show InChI InChI=1S/C25H31ClN5O2P/c1-31-13-11-17(12-14-31)18-9-10-20(22(15-18)33-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)34(3,4)32/h5-10,15-17H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.380n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185239
PNG
(CHEMBL3823296)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39FN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.390n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50265869
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H26N8O3S/c1-31(2)12-19(33)32-8-5-13-10-18(35-3)16(11-17(13)32)28-24-29-22-14(4-7-26-22)23(30-24)27-15-6-9-36-20(15)21(25)34/h4,6-7,9-11H,5,8,12H2,1-3H3,(H2,25,34)(H3,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185238
PNG
(CHEMBL3823577)
Show SMILES COc1cc(ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H42N7O2P/c1-22-21-31-30(34-29(22)32-26-8-6-7-9-28(26)40(4,5)38)33-25-11-10-24(20-27(25)39-3)36-14-12-23(13-15-36)37-18-16-35(2)17-19-37/h6-11,20-21,23H,12-19H2,1-5H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.420n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185265
PNG
(CHEMBL3824290)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCN(C)CC1
Show InChI InChI=1S/C30H41ClN7O2P/c1-36-14-7-15-37(19-18-36)22-12-16-38(17-13-22)23-10-11-25(27(20-23)40-2)34-30-32-21-24(31)29(35-30)33-26-8-5-6-9-28(26)41(3,4)39/h5-6,8-11,20-22H,7,12-19H2,1-4H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.490n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185267
PNG
(CHEMBL3822557)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H36ClN6O3P/c1-37-25-18-21(34-12-10-20(11-13-34)35-14-16-38-17-15-35)8-9-23(25)32-28-30-19-22(29)27(33-28)31-24-6-4-5-7-26(24)39(2,3)36/h4-9,18-20H,10-17H2,1-3H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.490n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM175246
PNG
(US9115140, I-26)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1
Show InChI InChI=1S/C29H30F3N5O3S/c1-16(2)39-22-14-18(17-10-12-37(3)13-11-17)8-9-20(22)35-28-34-15-23-25(36-28)24(26(41-23)27(33)38)19-6-4-5-7-21(19)40-29(30,31)32/h4-9,14-17H,10-13H2,1-3H3,(H2,33,38)(H,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....


US Patent US9115140 (2015)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM175251
PNG
(US9115140, I-123)
Show SMILES CCN1CCC(CC1)c1cc(Nc2ncc3sc(C(N)=O)c(-c4ccccc4OC(F)(F)F)c3n2)n(n1)C(C)C
Show InChI InChI=1S/C27H30F3N7O2S/c1-4-36-11-9-16(10-12-36)18-13-21(37(35-18)15(2)3)33-26-32-14-20-23(34-26)22(24(40-20)25(31)38)17-7-5-6-8-19(17)39-27(28,29)30/h5-8,13-16H,4,9-12H2,1-3H3,(H2,31,38)(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....


US Patent US9115140 (2015)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50363253
PNG
(CHEMBL1946804)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...


Citation and Details
More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185270
PNG
(CHEMBL3823031)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H36ClN6O2P/c1-37-25-18-21(35-16-12-20(13-17-35)34-14-6-7-15-34)10-11-23(25)32-28-30-19-22(29)27(33-28)31-24-8-4-5-9-26(24)38(2,3)36/h4-5,8-11,18-20H,6-7,12-17H2,1-3H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.530n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185282
PNG
(CHEMBL3823916)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O3P/c1-31-13-11-17(12-14-31)34-18-9-10-20(22(15-18)33-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)35(3,4)32/h5-10,15-17H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.540n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185279
PNG
(CHEMBL3824007)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H30ClN6O3P/c1-17(33)31-11-13-32(14-12-31)18-9-10-20(22(15-18)35-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)36(3,4)34/h5-10,15-16H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.590n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50185152
PNG
(CHEMBL3822475)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C28H36ClN7O3S/c1-34-14-16-36(17-15-34)20-10-12-35(13-11-20)21-8-9-23(25(18-21)39-2)32-28-30-19-22(29)27(33-28)31-24-6-4-5-7-26(24)40(3,37)38/h4-9,18-20H,10-17H2,1-3H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.590n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/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=1/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50296896
PNG
((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)
Show SMILES C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1
Show InChI InChI=1S/C24H23N7O2/c1-15-8-18(10-19(33)9-15)23-20(14-31(30-23)7-5-25)21-11-22(27-12-16(2)32)29-24(28-21)17-4-3-6-26-13-17/h3-4,6,8-11,13-14,16,32-33H,7,12H2,1-2H3,(H,27,28,29)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1767 total )  |  Next  |  Last  >>
Jump to: