new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396248'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396248
PNG
(CHEMBL2172335)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12 |r,wU:9.12,6.5,(45.43,-40.21,;43.92,-39.89,;43.44,-38.43,;42.89,-41.04,;41.38,-40.72,;40.36,-41.87,;40.9,-39.26,;39.4,-38.94,;38.92,-37.48,;39.95,-36.34,;41.45,-36.64,;41.93,-38.11,;39.47,-34.87,;40.37,-33.61,;41.91,-33.61,;42.67,-32.27,;41.89,-30.94,;44.21,-32.26,;44.99,-33.59,;46.52,-33.58,;47.29,-32.24,;48.83,-32.23,;46.5,-30.91,;44.97,-30.92,;39.45,-32.37,;37.98,-32.85,;36.64,-32.09,;35.31,-32.86,;35.31,-34.4,;33.98,-35.17,;32.65,-34.4,;32.65,-32.86,;31.33,-32.09,;29.99,-32.85,;28.66,-32.08,;28.67,-30.54,;29.99,-34.4,;31.32,-35.18,;36.65,-35.17,;37.99,-34.4,)|
Show InChI InChI=1S/C31H41FN6O2/c1-20(2)34-29(39)24-6-10-26(11-7-24)38-28-17-22(19-37-15-13-21(18-33)14-16-37)3-12-27(28)35-31(38)36-30(40)23-4-8-25(32)9-5-23/h3-5,8-9,12,17,20-21,24,26H,6-7,10-11,13-16,18-19,33H2,1-2H3,(H,34,39)(H,35,36,40)/t24-,26+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/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))
BDBM50396248
PNG
(CHEMBL2172335)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12 |r,wU:9.12,6.5,(45.43,-40.21,;43.92,-39.89,;43.44,-38.43,;42.89,-41.04,;41.38,-40.72,;40.36,-41.87,;40.9,-39.26,;39.4,-38.94,;38.92,-37.48,;39.95,-36.34,;41.45,-36.64,;41.93,-38.11,;39.47,-34.87,;40.37,-33.61,;41.91,-33.61,;42.67,-32.27,;41.89,-30.94,;44.21,-32.26,;44.99,-33.59,;46.52,-33.58,;47.29,-32.24,;48.83,-32.23,;46.5,-30.91,;44.97,-30.92,;39.45,-32.37,;37.98,-32.85,;36.64,-32.09,;35.31,-32.86,;35.31,-34.4,;33.98,-35.17,;32.65,-34.4,;32.65,-32.86,;31.33,-32.09,;29.99,-32.85,;28.66,-32.08,;28.67,-30.54,;29.99,-34.4,;31.32,-35.18,;36.65,-35.17,;37.99,-34.4,)|
Show InChI InChI=1S/C31H41FN6O2/c1-20(2)34-29(39)24-6-10-26(11-7-24)38-28-17-22(19-37-15-13-21(18-33)14-16-37)3-12-27(28)35-31(38)36-30(40)23-4-8-25(32)9-5-23/h3-5,8-9,12,17,20-21,24,26H,6-7,10-11,13-16,18-19,33H2,1-2H3,(H,34,39)(H,35,36,40)/t24-,26+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/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