Found 89 hits of ic50 data for complexid = 50000270 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558033
(CHEMBL4762256)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558033
(CHEMBL4762256)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558029
(CHEMBL4762861)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558032
(CHEMBL4798141)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM107057
(US8592432, 34)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C31H41N7O3S/c1-18(2)41-26-17-23(22-12-14-38(7)15-13-22)20(5)16-25(26)33-31-34-29(28-21(6)36-37-30(28)35-31)32-24-10-8-9-11-27(24)42(39,40)19(3)4/h8-11,16-19,22H,12-15H2,1-7H3,(H3,32,33,34,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM107057
(US8592432, 34)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C31H41N7O3S/c1-18(2)41-26-17-23(22-12-14-38(7)15-13-22)20(5)16-25(26)33-31-34-29(28-21(6)36-37-30(28)35-31)32-24-10-8-9-11-27(24)42(39,40)19(3)4/h8-11,16-19,22H,12-15H2,1-7H3,(H3,32,33,34,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393620
(CHEMBL2158531)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r| Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM107057
(US8592432, 34)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C31H41N7O3S/c1-18(2)41-26-17-23(22-12-14-38(7)15-13-22)20(5)16-25(26)33-31-34-29(28-21(6)36-37-30(28)35-31)32-24-10-8-9-11-27(24)42(39,40)19(3)4/h8-11,16-19,22H,12-15H2,1-7H3,(H3,32,33,34,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition NMP-ALK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558034
(CHEMBL4791252)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558029
(CHEMBL4762861)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393610
(CHEMBL2158527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1 Show InChI InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM107097
(US8592432, 83)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1 Show InChI InChI=1S/C29H38N8O3S/c1-17(2)40-24-16-21(20-11-13-37(6)14-12-20)19(5)15-23(24)31-29-32-27(26-28(33-29)35-36-34-26)30-22-9-7-8-10-25(22)41(38,39)18(3)4/h7-10,15-18,20H,11-14H2,1-6H3,(H3,30,31,32,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558035
(CHEMBL4779222)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353048
(CHEMBL1822527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio... |
Bioorg Med Chem 22: 1303-12 (2014)
Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393616
(CHEMBL2158525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1 Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50158419
(CHEMBL3734798)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14/h2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353044
(CHEMBL1822523)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C29H36N8O2/c1-33-12-16-35(17-13-33)36-18-14-34(15-19-36)22-8-10-25(28(20-22)39-3)31-29-30-21-23-9-11-26(37(23)32-29)24-6-4-5-7-27(24)38-2/h4-11,20-21H,12-19H2,1-3H3,(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393613
(CHEMBL2158518)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393614
(CHEMBL2158529)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12 Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393615
(CHEMBL2158526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/m1/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393617
(CHEMBL2158519)Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353042
(CHEMBL1822521)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393619
(CHEMBL2158530)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1 Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393624
(CHEMBL2158516)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H33N7O4S/c1-33(40(3,37)38)24-7-5-4-6-22(24)25-11-9-21-17-30-28(32-35(21)25)31-23-10-8-20(16-26(23)39-2)19-12-14-34(15-13-19)18-27(29)36/h4-11,16-17,19H,12-15,18H2,1-3H3,(H2,29,36)(H,31,32) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353047
(CHEMBL1822526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m1/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353043
(CHEMBL1822522)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31) | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393609
(CHEMBL2158511)Show SMILES CNC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)c(OC)c1 Show InChI InChI=1S/C28H32N6O3/c1-29-27(35)18-33-14-12-19(13-15-33)20-8-10-23(26(16-20)37-3)31-28-30-17-21-9-11-24(34(21)32-28)22-6-4-5-7-25(22)36-2/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,35)(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50361205
(CHEMBL1934334)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H30N6O3/c1-35-24-6-4-3-5-21(24)23-10-8-20-16-29-27(31-33(20)23)30-22-9-7-19(15-25(22)36-2)18-11-13-32(14-12-18)17-26(28)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,28,34)(H,30,31) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393618
(CHEMBL2158528)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353040
(CHEMBL1822519)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)18-8-10-21(24(16-18)33-3)27-25-26-17-19-9-11-22(31(19)28-25)20-6-4-5-7-23(20)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,27,28) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353041
(CHEMBL1822520)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393612
(CHEMBL2158586)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N Show InChI InChI=1S/C29H34N6O3/c1-29(2,30)27(36)34-15-13-19(14-16-34)20-9-11-23(26(17-20)38-4)32-28-31-18-21-10-12-24(35(21)33-28)22-7-5-6-8-25(22)37-3/h5-12,17-19H,13-16,30H2,1-4H3,(H,32,33) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558028
(CHEMBL4755518)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(N)n[nH]c2n1 | PDB
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TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393611
(CHEMBL2158515)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccncc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C26H29N7O3/c1-35-23-13-18(17-8-11-32(12-9-17)16-25(27)34)3-5-21(23)30-26-29-14-19-4-6-22(33(19)31-26)20-7-10-28-15-24(20)36-2/h3-7,10,13-15,17H,8-9,11-12,16H2,1-2H3,(H2,27,34)(H,30,31) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milano-Bicocca
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay |
J Med Chem 49: 5759-68 (2006)
Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50158419
(CHEMBL3734798)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14/h2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393625
(CHEMBL2158521)Show SMILES COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r| Show InChI InChI=1S/C28H34FN7O4S/c1-19(37)18-34-11-13-35(14-12-34)26-16-27(40-3)23(15-22(26)29)31-28-30-17-20-9-10-25(36(20)32-28)21-7-5-6-8-24(21)33(2)41(4,38)39/h5-10,15-17,19,37H,11-14,18H2,1-4H3,(H,31,32)/t19-/m0/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393608
(CHEMBL2158587)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1 Show InChI InChI=1S/C29H32N6O3/c1-37-26-6-4-3-5-22(26)25-10-8-21-18-31-29(33-35(21)25)32-23-9-7-20(17-27(23)38-2)19-12-15-34(16-13-19)28(36)24-11-14-30-24/h3-10,17-19,24,30H,11-16H2,1-2H3,(H,32,33) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milano-Bicocca
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay |
J Med Chem 49: 5759-68 (2006)
Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353045
(CHEMBL1822524)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N7O3S/c1-30-13-15-32(16-14-30)19-9-11-22(25(17-19)36-3)28-26-27-18-20-10-12-24(33(20)29-26)21-7-5-6-8-23(21)31(2)37(4,34)35/h5-12,17-18H,13-16H2,1-4H3,(H,28,29) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393623
(CHEMBL2158513)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32) | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558031
(CHEMBL4780490)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1 | PDB
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| n/a | n/a | 328 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50448037
(CHEMBL3115500)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1 Show InChI InChI=1S/C32H35N7/c1-35-13-17-37(18-14-35)27-8-3-24(4-9-27)26-7-12-29-30(21-26)39-31(22-33-23-32(39)34-29)25-5-10-28(11-6-25)38-19-15-36(2)16-20-38/h3-12,21-23H,13-20H2,1-2H3 | PDB
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Universit£ de Lyon
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio... |
Bioorg Med Chem 22: 1303-12 (2014)
Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50575343
(CHEMBL4858720)Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| | PDB
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TBA
| Assay Description
Inhibition of NPM-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell prolife... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI: 10.7270/Q23R0XP8 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393622
(CHEMBL2158512)Show SMILES COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1 Show InChI InChI=1S/C28H32N6O4/c1-36-21-6-7-22(25(15-21)37-2)24-9-5-20-16-30-28(32-34(20)24)31-23-8-4-19(14-26(23)38-3)18-10-12-33(13-11-18)17-27(29)35/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,29,35)(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50558031
(CHEMBL4780490)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1 | PDB
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TBA
| Assay Description
Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2015.11.049
BindingDB Entry DOI: 10.7270/Q2XS603J |
More data for this
Ligand-Target Pair | |
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