BDBM477860 US10889571, Example 208

SMILES: O[C@H]1CCn2c(C1)nc1cc(cc(-c3cncnc3)c21)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=PEULMECLCHWIRA-INIZCTEOSA-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 = 477860   

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))	BDBM477860 (US10889571, Example 208) Show SMILES O[C@H]1CCn2c(C1)nc1cc(cc(-c3cncnc3)c21)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-17-3-1-15(2-4-17)29-22(33)13-7-18(14-10-27-12-28-11-14)21-19(8-13)30-20-9-16(32)5-6-31(20)21/h1-4,7-8,10-12,16,32H,5-6,9H2,(H,29,33)/t16-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	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)
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