BDBM140389 US10947243, Example 114::US8912173, 114::US9914735, Example 114

SMILES: CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1

InChI Key: InChIKey=VRIPIEPFEURRFT-GDBMZVCRSA-N

Data: 9 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 9 hits for monomerid = 140389   

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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	-80
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 US8912173 (2014) BindingDB Entry DOI: 10.7270/Q2TX3D3T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.54E+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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.54E+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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	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))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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