BDBM477797 US10889571, Example 143

SMILES: CC(C)n1cnc2cc(cc(-c3cnsc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=UQCAGYWXVAKZQS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 477797   

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))	BDBM477797 (US10889571, Example 143) Show SMILES CC(C)n1cnc2cc(cc(-c3cnsc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H17ClF2N4O2S/c1-12(2)28-11-25-18-8-13(7-17(19(18)28)14-9-26-31-10-14)20(29)27-15-3-5-16(6-4-15)30-21(22,23)24/h3-12H,1-2H3,(H,27,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	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)
					More data for this Ligand-Target Pair