BDBM50498592 CHEMBL3609642
SMILES: [H][C@@]12CCCC[C@@]1([H])N(Cc1ccccc1)C(=O)C(CC2)n1cc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1
InChI Key: InChIKey=XGXFNNLJOOPIOL-YRVHRZEMSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50498592 (CHEMBL3609642) | KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston Curated by ChEMBL | Assay Description Binding affinity to human ERG expressed in HEK cells by MK-499 radioligand displacement assay | Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50498592 (CHEMBL3609642) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston Curated by ChEMBL | Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... | Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50498592 (CHEMBL3609642) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston Curated by ChEMBL | Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ... | Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX | |||||||||||
More data for this Ligand-Target Pair |