BDBM446042 US10669246, Example 93::US10968188, Example 93

SMILES: Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#N

InChI Key: InChIKey=NQGODUNKIPTMRT-CABCVRRESA-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 = 446042   

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))	BDBM446042 (US10669246, Example 93 | US10968188, Example 93) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#N |r| Show InChI InChI=1S/C19H14FN3OS/c1-10-2-3-11(9-21)6-13(10)12-4-5-16-17(7-12)25-19(22-16)23-18(24)14-8-15(14)20/h2-7,14-15H,8H2,1H3,(H,22,23,24)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	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))	BDBM446042 (US10669246, Example 93 | US10968188, Example 93) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#N |r| Show InChI InChI=1S/C19H14FN3OS/c1-10-2-3-11(9-21)6-13(10)12-4-5-16-17(7-12)25-19(22-16)23-18(24)14-8-15(14)20/h2-7,14-15H,8H2,1H3,(H,22,23,24)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	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