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SMILES: Cc1nc2cc(cc(-c3cncnc3)c2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=HFAURYFAASRNNY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 477666   
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 [64-515]


(Homo sapiens (Human))		BDBM477666
PNG
(US10889571, Example 7)
Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-18-8-13(7-17(19(18)29(12)2)14-9-25-11-26-10-14)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.330n/an/an/an/an/an/a



Terns, Inc.

US Patent


Assay Description
ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...

US Patent US10889571 (2021)


BindingDB Entry DOI: 10.7270/Q27S7RW4
More data for this
Ligand-Target Pair