BDBM251627 US9453031, 64

SMILES: CCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=GZMCDKYNELBFSQ-AWEZNQCLSA-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 = 251627   

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))	BDBM251627 (US9453031, 64) Show SMILES CCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28N6O4S/c1-5-23-20-24-15-8-6-7-9-16(15)28(20)21-25-18(22(2,3)33(4,29)30)17-19(26-21)27-10-11-31-12-14(27)13-32-17/h6-9,14H,5,10-13H2,1-4H3,(H,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.65E+3	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))	BDBM251627 (US9453031, 64) Show SMILES CCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28N6O4S/c1-5-23-20-24-15-8-6-7-9-16(15)28(20)21-25-18(22(2,3)33(4,29)30)17-19(26-21)27-10-11-31-12-14(27)13-32-17/h6-9,14H,5,10-13H2,1-4H3,(H,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	196	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))	BDBM251627 (US9453031, 64) Show SMILES CCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28N6O4S/c1-5-23-20-24-15-8-6-7-9-16(15)28(20)21-25-18(22(2,3)33(4,29)30)17-19(26-21)27-10-11-31-12-14(27)13-32-17/h6-9,14H,5,10-13H2,1-4H3,(H,23,24)/t14-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	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