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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 213603   
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
Tyrosine-protein kinase ABL1 [64-515]


(Homo sapiens (Human))
BDBM213603
PNG
(US9278981, 195)
Show SMILES CCN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O2S/c1-2-29(7-8-30)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(31)28-16-3-5-17(6-4-16)32-21(22,23)24/h3-6,9-13,30H,2,7-8H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.130n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


US Patent US9278981 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515]


(Homo sapiens (Human))
BDBM213603
PNG
(US9278981, 195)
Show SMILES CCN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O2S/c1-2-29(7-8-30)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(31)28-16-3-5-17(6-4-16)32-21(22,23)24/h3-6,9-13,30H,2,7-8H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-...


US Patent US9278981 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HRD
More data for this
Ligand-Target Pair