null

SMILES: COc1ccc(Cn2ncc(F)c2-c2cc(cc3ncn(C(C)C)c23)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1

InChI Key: InChIKey=JRMIEVIPGDHNQV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 477676   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477676 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(4-fluoro-1H...) Show SMILES COc1ccc(Cn2ncc(F)c2-c2cc(cc3ncn(C(C)C)c23)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 |(-19.35,12.09,;-17.9,11.09,;-18.03,9.34,;-16.58,8.35,;-16.72,6.59,;-18.3,5.83,;-18.44,4.08,;-16.98,3.08,;-15.16,3.39,;-14.26,2.14,;-15.16,.9,;-14.77,-.59,;-16.63,1.37,;-18.69,.24,;-20.02,1.01,;-21.35,.24,;-21.35,-1.3,;-20.02,-2.07,;-19.7,-3.58,;-18.17,-3.74,;-17.54,-2.33,;-16.05,-1.93,;-14.96,-3.02,;-15.65,-.44,;-18.69,-1.3,;-22.69,1.01,;-22.69,2.55,;-24.02,.24,;-25.35,1.01,;-25.35,2.55,;-26.69,3.32,;-28.02,2.55,;-29.35,3.32,;-30.69,2.55,;-32.02,3.32,;-30.69,1.01,;-32.02,1.78,;-28.02,1.01,;-26.69,.24,;-19.76,6.82,;-19.62,8.58,)| Show InChI InChI=1S/C29H25ClF3N5O3/c1-17(2)37-16-34-25-13-19(28(39)36-20-6-10-22(11-7-20)41-29(30,32)33)12-23(27(25)37)26-24(31)14-35-38(26)15-18-4-8-21(40-3)9-5-18/h4-14,16-17H,15H2,1-3H3,(H,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477676 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(4-fluoro-1H...) Show SMILES COc1ccc(Cn2ncc(F)c2-c2cc(cc3ncn(C(C)C)c23)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 |(-19.35,12.09,;-17.9,11.09,;-18.03,9.34,;-16.58,8.35,;-16.72,6.59,;-18.3,5.83,;-18.44,4.08,;-16.98,3.08,;-15.16,3.39,;-14.26,2.14,;-15.16,.9,;-14.77,-.59,;-16.63,1.37,;-18.69,.24,;-20.02,1.01,;-21.35,.24,;-21.35,-1.3,;-20.02,-2.07,;-19.7,-3.58,;-18.17,-3.74,;-17.54,-2.33,;-16.05,-1.93,;-14.96,-3.02,;-15.65,-.44,;-18.69,-1.3,;-22.69,1.01,;-22.69,2.55,;-24.02,.24,;-25.35,1.01,;-25.35,2.55,;-26.69,3.32,;-28.02,2.55,;-29.35,3.32,;-30.69,2.55,;-32.02,3.32,;-30.69,1.01,;-32.02,1.78,;-28.02,1.01,;-26.69,.24,;-19.76,6.82,;-19.62,8.58,)| Show InChI InChI=1S/C29H25ClF3N5O3/c1-17(2)37-16-34-25-13-19(28(39)36-20-6-10-22(11-7-20)41-29(30,32)33)12-23(27(25)37)26-24(31)14-35-38(26)15-18-4-8-21(40-3)9-5-18/h4-14,16-17H,15H2,1-3H3,(H,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/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