BDBM311119 US10155751, Example 6

SMILES: C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1

InChI Key: InChIKey=VOUGQHKNWOMEDQ-IUODEOHRSA-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 = 311119   

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))	BDBM311119 (US10155751, Example 6) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H24FN5O2/c1-12(15-7-19(28)23-8-15)29-18-6-14(5-17-20(18)21(22)26(2)25-17)16-9-24-27(11-16)10-13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3,(H,23,28)/t12-,15-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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))	BDBM311119 (US10155751, Example 6) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H24FN5O2/c1-12(15-7-19(28)23-8-15)29-18-6-14(5-17-20(18)21(22)26(2)25-17)16-9-24-27(11-16)10-13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3,(H,23,28)/t12-,15-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.73E+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))	BDBM311119 (US10155751, Example 6) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(CC2CC2)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H24FN5O2/c1-12(15-7-19(28)23-8-15)29-18-6-14(5-17-20(18)21(22)26(2)25-17)16-9-24-27(11-16)10-13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3,(H,23,28)/t12-,15-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.41E+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