BDBM251633 US9453031, 70

SMILES: CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O

InChI Key: InChIKey=KVHFSLWEJDTDOC-LBPRGKRZSA-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 = 251633   

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
p110α/p85α (Homo sapiens (Human))	BDBM251633 (US9453031, 70) Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O |r,c:20| Show InChI InChI=1S/C20H25N6O4S/c1-20(2,31(3,27)28)16-15-17(25-8-9-29-10-12(25)11-30-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21/h4-7,12,22H,8-11,21H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	870	n/a	n/a	n/a	n/a	7.5	25
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#33-016), which is a homogeneous assay to me...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM251633 (US9453031, 70) Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O |r,c:20| Show InChI InChI=1S/C20H25N6O4S/c1-20(2,31(3,27)28)16-15-17(25-8-9-29-10-12(25)11-30-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21/h4-7,12,22H,8-11,21H2,1-3H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	741	n/a	n/a	n/a	n/a	7.5	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#90-0083), which is a homogeneous assay to m...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM251633 (US9453031, 70) Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O |r,c:20| Show InChI InChI=1S/C20H25N6O4S/c1-20(2,31(3,27)28)16-15-17(25-8-9-29-10-12(25)11-30-15)24-19(23-16)26-14-7-5-4-6-13(14)22-18(26)21/h4-7,12,22H,8-11,21H2,1-3H3/t12-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	226	n/a	n/a	n/a	n/a	7.5	25
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair