BDBM311120 US10155751, Example 7

SMILES: C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1

InChI Key: InChIKey=SIWXLQDTIVKZRU-OJDRRSAWSA-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 = 311120   

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))	BDBM311120 (US10155751, Example 7) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H24F3N5O2/c1-12(14-7-19(31)26-9-14)32-18-6-13(5-17-20(18)21(23)29(2)28-17)15-10-27-30(11-15)16-3-4-22(24,25)8-16/h5-6,10-12,14,16H,3-4,7-9H2,1-2H3,(H,26,31)/t12-,14-,16?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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))	BDBM311120 (US10155751, Example 7) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H24F3N5O2/c1-12(14-7-19(31)26-9-14)32-18-6-13(5-17-20(18)21(23)29(2)28-17)15-10-27-30(11-15)16-3-4-22(24,25)8-16/h5-6,10-12,14,16H,3-4,7-9H2,1-2H3,(H,26,31)/t12-,14-,16?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.44E+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))	BDBM311120 (US10155751, Example 7) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(F)c12)-c1cnn(c1)C1CCC(F)(F)C1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H24F3N5O2/c1-12(14-7-19(31)26-9-14)32-18-6-13(5-17-20(18)21(23)29(2)28-17)15-10-27-30(11-15)16-3-4-22(24,25)8-16/h5-6,10-12,14,16H,3-4,7-9H2,1-2H3,(H,26,31)/t12-,14-,16?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.62E+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