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SMILES: Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1nccs1

InChI Key: InChIKey=WXSSXSWQWRCTML-CVEARBPZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 446041   

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))	BDBM446041 (US10669246, Example 92 | US10968188, Example 92) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1nccs1 |r| Show InChI InChI=1S/C21H16FN3OS2/c1-11-2-3-13(20-23-6-7-27-20)8-14(11)12-4-5-17-18(9-12)28-21(24-17)25-19(26)15-10-16(15)22/h2-9,15-16H,10H2,1H3,(H,24,25,26)/t15-,16+/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	9.30	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))	BDBM446041 (US10669246, Example 92 | US10968188, Example 92) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1nccs1 |r| Show InChI InChI=1S/C21H16FN3OS2/c1-11-2-3-13(20-23-6-7-27-20)8-14(11)12-4-5-17-18(9-12)28-21(24-17)25-19(26)15-10-16(15)22/h2-9,15-16H,10H2,1H3,(H,24,25,26)/t15-,16+/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	9.30	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