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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor (ALK) (F1174L)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (F1174L)


(Homo sapiens (human))
BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/s2
PDB

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PC cid
PC sid
UniChem
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...


US Patent US9226923 (2016)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (F1174L)


(Homo sapiens (human))
BDBM50306682
PNG
((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
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
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...


US Patent US9226923 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)