BDBM50255625 CHEMBL4070714
SMILES: [Na+].[Na+].CCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCC
InChI Key: InChIKey=LCFVMYQEFVBOJG-IIWAAMSUSA-L
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 |
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Toll-like receptor 4 (Homo sapiens (Human)) | BDBM50255625 (CHEMBL4070714) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL | Assay Description Antagonist activity at human TLR4 expressed in HEK blue cells assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP production pre... | J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TLR4-MD2 (Homo sapiens (Human)) | BDBM50255625 (CHEMBL4070714) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL | Assay Description Antagonist activity at human TLR4 expressed in mouse RAW blue cells assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP producti... | J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lymphocyte antigen 96 (Homo sapiens (Human)) | BDBM50255625 (CHEMBL4070714) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a |
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL | Assay Description Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay | J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC | |||||||||||
More data for this Ligand-Target Pair |