Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396239' 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)) | BDBM50396239
(CHEMBL2172312)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.07,-55.4,;20.56,-55.09,;20.08,-53.62,;19.53,-56.23,;18.03,-55.92,;17,-57.06,;17.55,-54.45,;16.04,-54.13,;15.56,-52.68,;16.59,-51.53,;18.1,-51.84,;18.58,-53.3,;16.11,-50.07,;17.01,-48.81,;18.55,-48.8,;19.32,-47.46,;18.54,-46.13,;20.86,-47.45,;21.63,-48.78,;23.17,-48.77,;23.93,-47.43,;25.47,-47.42,;23.15,-46.1,;21.61,-46.12,;16.1,-47.56,;14.62,-48.05,;13.29,-47.29,;11.96,-48.06,;11.96,-49.6,;10.62,-50.37,;9.29,-49.6,;8.89,-48.11,;7.4,-48.51,;7.8,-50,;6.07,-47.74,;5.29,-46.4,;6.84,-46.39,;4.73,-48.51,;13.29,-50.37,;14.63,-49.6,)| Show InChI InChI=1S/C31H40FN5O3/c1-19(2)33-28(38)22-8-12-25(13-9-22)37-27-15-20(16-36-17-23(18-36)31(3,4)40)5-14-26(27)34-30(37)35-29(39)21-6-10-24(32)11-7-21/h5-7,10-11,14-15,19,22-23,25,40H,8-9,12-13,16-18H2,1-4H3,(H,33,38)(H,34,35,39)/t22-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK enzyme |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50396239
(CHEMBL2172312)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.07,-55.4,;20.56,-55.09,;20.08,-53.62,;19.53,-56.23,;18.03,-55.92,;17,-57.06,;17.55,-54.45,;16.04,-54.13,;15.56,-52.68,;16.59,-51.53,;18.1,-51.84,;18.58,-53.3,;16.11,-50.07,;17.01,-48.81,;18.55,-48.8,;19.32,-47.46,;18.54,-46.13,;20.86,-47.45,;21.63,-48.78,;23.17,-48.77,;23.93,-47.43,;25.47,-47.42,;23.15,-46.1,;21.61,-46.12,;16.1,-47.56,;14.62,-48.05,;13.29,-47.29,;11.96,-48.06,;11.96,-49.6,;10.62,-50.37,;9.29,-49.6,;8.89,-48.11,;7.4,-48.51,;7.8,-50,;6.07,-47.74,;5.29,-46.4,;6.84,-46.39,;4.73,-48.51,;13.29,-50.37,;14.63,-49.6,)| Show InChI InChI=1S/C31H40FN5O3/c1-19(2)33-28(38)22-8-12-25(13-9-22)37-27-15-20(16-36-17-23(18-36)31(3,4)40)5-14-26(27)34-30(37)35-29(39)21-6-10-24(32)11-7-21/h5-7,10-11,14-15,19,22-23,25,40H,8-9,12-13,16-18H2,1-4H3,(H,33,38)(H,34,35,39)/t22-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK Tyr1604 phosphorylation by cell based assay |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866
BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this
Ligand-Target Pair | |
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