Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 4' and Ligand = 'BDBM50250424'   

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)	BDBM50250424 (CHEMBL4087701) Show SMILES Cn1c2ccc(NC(=O)CCC(O)=O)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C29H31N5O5S/c1-33-22-13-12-19(31-23(35)14-15-25(37)38)16-21(22)26-27(33)28(39)34(20-10-6-3-7-11-20)29(32-26)40-17-24(36)30-18-8-4-2-5-9-18/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15,17H2,1H3,(H,30,36)(H,31,35)(H,37,38)	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))	BDBM50250424 (CHEMBL4087701) Show SMILES Cn1c2ccc(NC(=O)CCC(O)=O)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C29H31N5O5S/c1-33-22-13-12-19(31-23(35)14-15-25(37)38)16-21(22)26-27(33)28(39)34(20-10-6-3-7-11-20)29(32-26)40-17-24(36)30-18-8-4-2-5-9-18/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15,17H2,1H3,(H,30,36)(H,31,35)(H,37,38)	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