BindingDB PrimarySearch

null

SMILES: CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 251580
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90E+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
Serine/threonine-protein kinase mTOR [1360-2549] (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86E+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 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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+4	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Predictor hERG Assay test kits were obtained from Invitrogen (Carlsbad, Calif.). The binding assay was carried out according to the kit instructions....				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate c...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate c...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate c...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate c...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM251580 (US9453031, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	37
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate c...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
					More data for this Ligand-Target Pair