Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 4' and Ligand = 'BDBM50250408'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 4 (Mus musculus)	BDBM50250408 (CHEMBL4095263) Show SMILES O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1 Show InChI InChI=1S/C25H27N3OS/c29-24-23-22(20-15-7-8-16-21(20)26-23)27-25(28(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h2,5-8,13-16,18,26H,1,3-4,9-12,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250408 (CHEMBL4095263) Show SMILES O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1 Show InChI InChI=1S/C25H27N3OS/c29-24-23-22(20-15-7-8-16-21(20)26-23)27-25(28(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h2,5-8,13-16,18,26H,1,3-4,9-12,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair