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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 213682   
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))
BDBM213682
PNG
(US9278981, 274)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31/h1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33)/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.100n/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
Tyrosine-protein kinase ABL1 [64-515]


(Homo sapiens (Human))
BDBM213682
PNG
(US9278981, 274)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31/h1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33)/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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