SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.3
BDBM116236

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
Novartis AG US Patent					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type APP751 (unknown origin) expressed in CHO cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01300 BindingDB Entry DOI: 10.7270/Q27D302Z
TBA					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequence				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01300 BindingDB Entry DOI: 10.7270/Q27D302Z
TBA					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant BACE2 catalytic domain using FRET substrate with BACE-cleavable sequence				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01300 BindingDB Entry DOI: 10.7270/Q27D302Z
TBA					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	4.5	25
Novartis AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
Novartis AG US Patent					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using fluorescence-quenched peptide substrate derived from APP se...				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
Janssen Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM116236 (US10035794, Example 11 \| US10683287, Example 11 \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01300 BindingDB Entry DOI: 10.7270/Q27D302Z
TBA					More data for this Ligand-Target Pair