BDBM311125 US10155751, Example 12

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

InChI Key: InChIKey=OQDCCWPHZIIMGQ-DGCLKSJQSA-N

Data: 3 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 3 hits for monomerid = 311125   

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
SYK (aa 342-635) (Homo sapiens (Human))	BDBM311125 (US10155751, Example 12) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H21F4N5O2/c1-11(13-7-17(30)25-8-13)31-16-6-12(5-15-18(16)19(21)28(2)27-15)14-9-26-29(10-14)4-3-20(22,23)24/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,25,30)/t11-,13-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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
FLT3 (aa 564-960) (Homo sapiens (Human))	BDBM311125 (US10155751, Example 12) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H21F4N5O2/c1-11(13-7-17(30)25-8-13)31-16-6-12(5-15-18(16)19(21)28(2)27-15)14-9-26-29(10-14)4-3-20(22,23)24/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,25,30)/t11-,13-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.03E+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
AURB (aa 1-341) (Homo sapiens (Human))	BDBM311125 (US10155751, Example 12) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H21F4N5O2/c1-11(13-7-17(30)25-8-13)31-16-6-12(5-15-18(16)19(21)28(2)27-15)14-9-26-29(10-14)4-3-20(22,23)24/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,25,30)/t11-,13-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.96E+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