Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396245' 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)) | BDBM50396245
(CHEMBL2172306)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12 |r,wU:9.12,6.5,(21.16,-11.25,;19.65,-10.94,;19.17,-9.47,;18.62,-12.08,;17.12,-11.77,;16.09,-12.91,;16.64,-10.3,;15.13,-9.98,;14.65,-8.53,;15.68,-7.38,;17.19,-7.68,;17.67,-9.15,;15.2,-5.92,;16.1,-4.66,;17.64,-4.65,;18.41,-3.31,;17.63,-1.98,;19.95,-3.3,;20.72,-4.63,;22.26,-4.62,;23.02,-3.28,;24.56,-3.27,;22.24,-1.95,;20.7,-1.96,;15.19,-3.41,;13.71,-3.9,;12.38,-3.13,;11.05,-3.9,;11.05,-5.45,;9.71,-6.22,;8.38,-5.45,;8.38,-3.91,;7.05,-3.14,;5.72,-3.9,;5.71,-5.44,;7.04,-6.22,;4.38,-3.12,;4.39,-1.58,;3.04,-3.89,;12.38,-6.22,;13.72,-5.45,)| Show InChI InChI=1S/C31H39FN6O3/c1-19(2)34-29(40)23-6-10-25(11-7-23)38-27-17-20(18-37-15-13-21(14-16-37)28(33)39)3-12-26(27)35-31(38)36-30(41)22-4-8-24(32)9-5-22/h3-5,8-9,12,17,19,21,23,25H,6-7,10-11,13-16,18H2,1-2H3,(H2,33,39)(H,34,40)(H,35,36,41)/t23-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | 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)) | BDBM50396245
(CHEMBL2172306)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12 |r,wU:9.12,6.5,(21.16,-11.25,;19.65,-10.94,;19.17,-9.47,;18.62,-12.08,;17.12,-11.77,;16.09,-12.91,;16.64,-10.3,;15.13,-9.98,;14.65,-8.53,;15.68,-7.38,;17.19,-7.68,;17.67,-9.15,;15.2,-5.92,;16.1,-4.66,;17.64,-4.65,;18.41,-3.31,;17.63,-1.98,;19.95,-3.3,;20.72,-4.63,;22.26,-4.62,;23.02,-3.28,;24.56,-3.27,;22.24,-1.95,;20.7,-1.96,;15.19,-3.41,;13.71,-3.9,;12.38,-3.13,;11.05,-3.9,;11.05,-5.45,;9.71,-6.22,;8.38,-5.45,;8.38,-3.91,;7.05,-3.14,;5.72,-3.9,;5.71,-5.44,;7.04,-6.22,;4.38,-3.12,;4.39,-1.58,;3.04,-3.89,;12.38,-6.22,;13.72,-5.45,)| Show InChI InChI=1S/C31H39FN6O3/c1-19(2)34-29(40)23-6-10-25(11-7-23)38-27-17-20(18-37-15-13-21(14-16-37)28(33)39)3-12-26(27)35-31(38)36-30(41)22-4-8-24(32)9-5-22/h3-5,8-9,12,17,19,21,23,25H,6-7,10-11,13-16,18H2,1-2H3,(H2,33,39)(H,34,40)(H,35,36,41)/t23-,25+ | 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 |
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 | |
Search and Browse
