BDBM375960 US10947243, Example 35::US9914735, Example 35

SMILES: C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1

InChI Key: InChIKey=HBEWFEPXRNHJJQ-MWLCHTKSSA-N

Data: 14 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 14 hits for monomerid = 375960   

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 SYK (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
SYK (aa 342-635) (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
SYK (aa 342-635) (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...				US Patent US10947243 (2021)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair