Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50040097 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
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334593
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-2
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Rsk3 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389153
(CHEMBL2064663)Show SMILES COCCN[C@@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18-,22+,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389158
(CHEMBL2064664)Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389158
(CHEMBL2064664)Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Rsk2 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389155
(CHEMBL2064723)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389155
(CHEMBL2064723)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389152
(CHEMBL2064667)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCOCC1 |r,c:27| Show InChI InChI=1S/C28H35ClN6O3/c1-37-23-14-17-5-7-20(35-8-10-38-11-9-35)6-4-16(17)13-22(23)32-28-31-15-21(29)27(34-28)33-25-19-3-2-18(12-19)24(25)26(30)36/h2-3,13-15,18-20,24-25H,4-12H2,1H3,(H2,30,36)(H2,31,32,33,34)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389152
(CHEMBL2064667)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCOCC1 |r,c:27| Show InChI InChI=1S/C28H35ClN6O3/c1-37-23-14-17-5-7-20(35-8-10-38-11-9-35)6-4-16(17)13-22(23)32-28-31-15-21(29)27(34-28)33-25-19-3-2-18(12-19)24(25)26(30)36/h2-3,13-15,18-20,24-25H,4-12H2,1H3,(H2,30,36)(H2,31,32,33,34)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-6
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Rsk4 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389159
(CHEMBL2064662)Show SMILES COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18+,22+,23-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
NUAK family SNF1-like kinase 1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | KEGG
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ARK5 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CHK2 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334593
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389153
(CHEMBL2064663)Show SMILES COCCN[C@@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18-,22+,23-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389157
(CHEMBL2064665)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ACK1 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Flt4 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | MMDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human GCK |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Rsk1 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389158
(CHEMBL2064664)Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389158
(CHEMBL2064664)Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389159
(CHEMBL2064662)Show SMILES COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24| Show InChI InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18+,22+,23-/m1/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human BRK |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fer
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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MCE
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| Article
PubMed
| 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 human Fer |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
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CHEMBL
MCE
PC cid
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Flt3 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fes/Fps
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
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antibodypedia
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CHEMBL
MCE
PC cid
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| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Fes |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1alpha1 |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389157
(CHEMBL2064665)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389152
(CHEMBL2064667)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCOCC1 |r,c:27| Show InChI InChI=1S/C28H35ClN6O3/c1-37-23-14-17-5-7-20(35-8-10-38-11-9-35)6-4-16(17)13-22(23)32-28-31-15-21(29)27(34-28)33-25-19-3-2-18(12-19)24(25)26(30)36/h2-3,13-15,18-20,24-25H,4-12H2,1H3,(H2,30,36)(H2,31,32,33,34)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389152
(CHEMBL2064667)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCOCC1 |r,c:27| Show InChI InChI=1S/C28H35ClN6O3/c1-37-23-14-17-5-7-20(35-8-10-38-11-9-35)6-4-16(17)13-22(23)32-28-31-15-21(29)27(34-28)33-25-19-3-2-18(12-19)24(25)26(30)36/h2-3,13-15,18-20,24-25H,4-12H2,1H3,(H2,30,36)(H2,31,32,33,34)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human FAK |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389155
(CHEMBL2064723)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389155
(CHEMBL2064723)Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334593
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this
Ligand-Target Pair | |
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