BDBM50511993 CHEMBL4472879
SMILES: O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChI Key: InChIKey=ABZBNXFGYUSVCJ-UYMKNZQYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Toll-like receptor 2 (TLR2) (Homo sapiens (Human)) | BDBM50511993 (CHEMBL4472879) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
University of Pittsburgh Curated by ChEMBL | Assay Description Agonist activity at TLR2 in human cells by cell based assay | J Med Chem 62: 2938-2949 (2019) Article DOI: 10.1021/acs.jmedchem.8b01583 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Toll-like receptor 1 (Homo sapiens) | BDBM50511993 (CHEMBL4472879) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Southern Medical University Curated by ChEMBL | Assay Description Agonist activity at TLR1/2 in human THP-1 cells assessed as increase in TNF-alpha release incubated for 4 hrs by ELISA | Eur J Med Chem 169: 42-52 (2019) Article DOI: 10.1016/j.ejmech.2019.02.067 | |||||||||||
More data for this Ligand-Target Pair |