BDBM477837 US10889571, Example 185

SMILES: C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=KVSNOBXGMVEAEN-CYBMUJFWSA-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 = 477837   

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))	BDBM477837 (US10889571, Example 185) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-8-10-33-22-29-19-12-14(11-17(20(19)31(13)22)18-3-2-9-27-30-18)21(32)28-15-4-6-16(7-5-15)34-23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,28,32)/t13-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	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