BDBM140387 US10947243, Example 112::US8912173, 112::US9914735, Example 112

SMILES: C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1

InChI Key: InChIKey=QUKCRTQLRUGASS-UKRRQHHQSA-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 = 140387   

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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	1.20	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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	6	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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	2.96E+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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	1.25E+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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	2.96E+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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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	1.25E+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))	BDBM140387 (US10947243, Example 112 | US8912173, 112 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/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