BDBM50129294 CHEMBL3628125
SMILES: [H][C@@]12CCCN1c1ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1
InChI Key: InChIKey=INHHPEGPWFCJLB-WHLCUDGSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50129294 (CHEMBL3628125) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | 5.0 | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting... | Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50129294 (CHEMBL3628125) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | 6.4 | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti... | Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50129294 (CHEMBL3628125) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human ERG by thallium flux assay | Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50129294 (CHEMBL3628125) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of BACE1 in HEK293 cells expressing APP695 Swedish mutant assessed as reduction of amyloid beta (1 to 40) production after overnight incub... | Bioorg Med Chem Lett 25: 5040-7 (2015) BindingDB Entry DOI: 10.7270/Q2CZ390J | |||||||||||
More data for this Ligand-Target Pair |