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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 245219   
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 [L1196M]


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114488
BindingDB Entry DOI: 10.7270/Q26Q228W
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114488
BindingDB Entry DOI: 10.7270/Q26Q228W
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair