BDBM477822 US10889571, Example 168

SMILES: OC[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=UDFFRXXPDSPBRE-MRXNPFEDSA-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 = 477822   

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))	BDBM477822 (US10889571, Example 168) Show SMILES OC[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-15(2-4-17)29-22(33)13-5-18(14-7-27-12-28-8-14)21-19(6-13)30-20-11-34-10-16(9-32)31(20)21/h1-8,12,16,32H,9-11H2,(H,29,33)/t16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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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