BDBM446004 US10669246, Example 55::US10968188, Example 55

SMILES: COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1

InChI Key: InChIKey=RYDXEOCUWPNWBT-PWSUYJOCSA-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 = 446004   

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))	BDBM446004 (US10669246, Example 55 | US10968188, Example 55) Show SMILES COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H14FN3O2S/c1-23-14-4-5-19-8-11(14)9-2-3-13-15(6-9)24-17(20-13)21-16(22)10-7-12(10)18/h2-6,8,10,12H,7H2,1H3,(H,20,21,22)/t10-,12+/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	5.90	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))	BDBM446004 (US10669246, Example 55 | US10968188, Example 55) Show SMILES COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H14FN3O2S/c1-23-14-4-5-19-8-11(14)9-2-3-13-15(6-9)24-17(20-13)21-16(22)10-7-12(10)18/h2-6,8,10,12H,7H2,1H3,(H,20,21,22)/t10-,12+/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	5.90	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