BDBM446038 US10669246, Example 89::US10968188, Example 89

SMILES: F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncnc1C(F)(F)F

InChI Key: InChIKey=SYKVUFPIGNWZSY-SCZZXKLOSA-N

Data: 2 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 2 hits for monomerid = 446038   

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 (Homo sapiens (Human))	BDBM446038 (US10669246, Example 89 | US10968188, Example 89) Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncnc1C(F)(F)F |r| Show InChI InChI=1S/C16H10F4N4OS/c17-10-4-8(10)14(25)24-15-23-11-2-1-7(3-12(11)26-15)9-5-21-6-22-13(9)16(18,19)20/h1-3,5-6,8,10H,4H2,(H,23,24,25)/t8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446038 (US10669246, Example 89 | US10968188, Example 89) Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncnc1C(F)(F)F |r| Show InChI InChI=1S/C16H10F4N4OS/c17-10-4-8(10)14(25)24-15-23-11-2-1-7(3-12(11)26-15)9-5-21-6-22-13(9)16(18,19)20/h1-3,5-6,8,10H,4H2,(H,23,24,25)/t8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
1ST Biotherapeutics, Inc. US Patent					Assay Description ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(β-aminoethyl ether)-N,...				US Patent US10669246 (2020)
					More data for this Ligand-Target Pair