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BDBM213675 US9278981, 267

SMILES: NCC1CN(CC1O)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=KNEQRSGBPMTLDX-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 213675   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM213675
PNG
(US9278981, 267)
Show SMILES NCC1CN(CC1O)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C23H21ClF3N5O3/c24-23(26,27)35-18-3-1-17(2-4-18)31-22(34)14-6-19(13-5-16(25)10-29-8-13)21(30-9-14)32-11-15(7-28)20(33)12-32/h1-6,8-10,15,20,33H,7,11-12,28H2,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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


(Homo sapiens (Human))
BDBM213675
PNG
(US9278981, 267)
Show SMILES NCC1CN(CC1O)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C23H21ClF3N5O3/c24-23(26,27)35-18-3-1-17(2-4-18)31-22(34)14-6-19(13-5-16(25)10-29-8-13)21(30-9-14)32-11-15(7-28)20(33)12-32/h1-6,8-10,15,20,33H,7,11-12,28H2,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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