BDBM311128 US10155751, Example 15

SMILES: C[C@@H](Oc1nc(cc2nn(C)c(C)c12)C1=CN[N](=C1)C(C)(C)C)[C@H]1CNC(=O)C1

InChI Key: InChIKey=ANYWJYJMFCNHHE-ZIAGYGMSSA-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 = 311128   

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))	BDBM311128 (US10155751, Example 15) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)C1=CN[N](=C1)C(C)(C)C)[C@H]1CNC(=O)C1 |r,c:19,t:16| Show InChI InChI=1S/C21H29N6O2/c1-12-19-17(25-26(12)6)8-16(15-10-23-27(11-15)21(3,4)5)24-20(19)29-13(2)14-7-18(28)22-9-14/h8,10-11,13-14,23H,7,9H2,1-6H3,(H,22,28)/t13-,14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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))	BDBM311128 (US10155751, Example 15) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)C1=CN[N](=C1)C(C)(C)C)[C@H]1CNC(=O)C1 |r,c:19,t:16| Show InChI InChI=1S/C21H29N6O2/c1-12-19-17(25-26(12)6)8-16(15-10-23-27(11-15)21(3,4)5)24-20(19)29-13(2)14-7-18(28)22-9-14/h8,10-11,13-14,23H,7,9H2,1-6H3,(H,22,28)/t13-,14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.79E+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))	BDBM311128 (US10155751, Example 15) Show SMILES C[C@@H](Oc1nc(cc2nn(C)c(C)c12)C1=CN[N](=C1)C(C)(C)C)[C@H]1CNC(=O)C1 |r,c:19,t:16| Show InChI InChI=1S/C21H29N6O2/c1-12-19-17(25-26(12)6)8-16(15-10-23-27(11-15)21(3,4)5)24-20(19)29-13(2)14-7-18(28)22-9-14/h8,10-11,13-14,23H,7,9H2,1-6H3,(H,22,28)/t13-,14-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.06E+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