BDBM50250446 CHEMBL4061301

SMILES: Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=FHRBISORQRCUON-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250446   

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 4/MD-2/CD14 (Mus musculus)	BDBM50250446 (CHEMBL4061301) Show SMILES Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H32N4O2S/c1-29-21-16-10-4-9-15-20(21)23-24(29)25(32)30(19-13-7-3-8-14-19)26(28-23)33-17-22(31)27-18-11-5-2-6-12-18/h3,7-8,13-14,18H,2,4-6,9-12,15-17H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80E+3	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))	BDBM50250446 (CHEMBL4061301) Show SMILES Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H32N4O2S/c1-29-21-16-10-4-9-15-20(21)23-24(29)25(32)30(19-13-7-3-8-14-19)26(28-23)33-17-22(31)27-18-11-5-2-6-12-18/h3,7-8,13-14,18H,2,4-6,9-12,15-17H2,1H3,(H,27,31)	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