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SMILES: Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1

InChI Key: InChIKey=CJEHWCVSHXXLJF-OCCSQVGLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 446014   

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))	BDBM446014 (US10669246, Example 65 | US10968188, Example 65) Show SMILES Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H16FN3OS/c1-9-5-10(2)20-8-13(9)11-3-4-15-16(6-11)24-18(21-15)22-17(23)12-7-14(12)19/h3-6,8,12,14H,7H2,1-2H3,(H,21,22,23)/t12-,14+/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	21.3	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446014 (US10669246, Example 65 | US10968188, Example 65) Show SMILES Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H16FN3OS/c1-9-5-10(2)20-8-13(9)11-3-4-15-16(6-11)24-18(21-15)22-17(23)12-7-14(12)19/h3-6,8,12,14H,7H2,1-2H3,(H,21,22,23)/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446014 (US10669246, Example 65 | US10968188, Example 65) Show SMILES Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H16FN3OS/c1-9-5-10(2)20-8-13(9)11-3-4-15-16(6-11)24-18(21-15)22-17(23)12-7-14(12)19/h3-6,8,12,14H,7H2,1-2H3,(H,21,22,23)/t12-,14+/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	21.3	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