BDBM50185987 2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2-yl)ethylidene)malononitrile::CHEMBL207649::US10906900, FDDNP::US9452985, FDDNP (reference for comparison)
SMILES: [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
InChI Key: InChIKey=IAVCEBMLYVGBLA-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Microtubule-associated protein tau (TAU)(2N4R) (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-synuclein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL | J Med Chem 49: 2841-4 (2006) Article DOI: 10.1021/jm051020k BindingDB Entry DOI: 10.7270/Q2Q23ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay | J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tau (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | 256 | -8.99 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
GE Healthcare Limited US Patent | Assay Description For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a... | US Patent US9452985 (2016) BindingDB Entry DOI: 10.7270/Q2FB51VM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I](E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene from beta amyloid peptide in brain tissue at 50 uL | J Med Chem 49: 2841-4 (2006) Article DOI: 10.1021/jm051020k BindingDB Entry DOI: 10.7270/Q2Q23ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tau (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis | Bioorg Med Chem Lett 22: 7667-71 (2012) Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-synuclein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Microtubule-associated protein tau (TAU)(2N4R) (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 34.9 | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-synuclein (Homo sapiens (Human)) | BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a |
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent | Assay Description Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p... | US Patent US10906900 (2021) | |||||||||||
More data for this Ligand-Target Pair |