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SMILES: C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1

InChI Key: InChIKey=WPDYELPRTNSJHU-UKRRQHHQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 311133   

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 [342-635] (Homo sapiens (Human))	BDBM311133 (US10155751, Example 20) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H25N5O2/c1-12-21-18(24-25(12)3)6-14(16-10-23-26(11-16)17-4-5-17)7-19(21)28-13(2)15-8-20(27)22-9-15/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3,(H,22,27)/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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. The test compounds were dissolved in 100% D...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [564-960] (Homo sapiens (Human))	BDBM311133 (US10155751, Example 20) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H25N5O2/c1-12-21-18(24-25(12)3)6-14(16-10-23-26(11-16)17-4-5-17)7-19(21)28-13(2)15-8-20(27)22-9-15/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3,(H,22,27)/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human FLT3 (amino acids 564-958, Molecular weight 48.6 kDa, Invitrogen #PR4666C) was expressed with an Histidine tag. The test compounds...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Aurora kinase B [1-341] (Homo sapiens (Human))	BDBM311133 (US10155751, Example 20) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C1CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H25N5O2/c1-12-21-18(24-25(12)3)6-14(16-10-23-26(11-16)17-4-5-17)7-19(21)28-13(2)15-8-20(27)22-9-15/h6-7,10-11,13,15,17H,4-5,8-9H2,1-3H3,(H,22,27)/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+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 US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair