BDBM311116 US10155751, Example 3

SMILES: C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)O1

InChI Key: InChIKey=YYMPGSGXZGRAAP-MLGOLLRUSA-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 = 311116   

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))	BDBM311116 (US10155751, Example 3) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)O1 |r| Show InChI InChI=1S/C20H26N6O3/c1-11-17-15(24-25(11)6)7-14(13-8-22-26(10-13)20(3,4)5)23-18(17)28-12(2)16-9-21-19(27)29-16/h7-8,10,12,16H,9H2,1-6H3,(H,21,27)/t12-,16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM311116 (US10155751, Example 3) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)O1 |r| Show InChI InChI=1S/C20H26N6O3/c1-11-17-15(24-25(11)6)7-14(13-8-22-26(10-13)20(3,4)5)23-18(17)28-12(2)16-9-21-19(27)29-16/h7-8,10,12,16H,9H2,1-6H3,(H,21,27)/t12-,16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34E+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))	BDBM311116 (US10155751, Example 3) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)O1 |r| Show InChI InChI=1S/C20H26N6O3/c1-11-17-15(24-25(11)6)7-14(13-8-22-26(10-13)20(3,4)5)23-18(17)28-12(2)16-9-21-19(27)29-16/h7-8,10,12,16H,9H2,1-6H3,(H,21,27)/t12-,16-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.15E+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