BDBM40792 2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-tert-butyl-2-(2-furanyl)acetamide::2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-tert-butyl-2-(furan-2-yl)acetamide::2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-tert-butyl-2-(furan-2-yl)ethanamide::2-[Benzo[1,3]dioxol-5-ylmethyl-(2-benzotriazol-1-yl-acetyl)-amino]-N-tert-butyl-2-furan-2-yl-acetamide::2-[[2-(benzotriazol-1-yl)acetyl]-piperonyl-amino]-N-tert-butyl-2-(2-furyl)acetamide::MLS000070628::SMR000003147::cid_646921
SMILES: CC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)Cn1nnc2ccccc12)c1ccco1
InChI Key: InChIKey=KQOICCGPGCHYFS-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Complement C1s (Homo sapiens (Human)) | BDBM40792 (2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2MP51PC | |||||||||||
More data for this Ligand-Target Pair |