BDBM50250407 CHEMBL4085061

SMILES: O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1

InChI Key: InChIKey=BSTRGQCVAVXAHN-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 = 50250407   

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)	BDBM50250407 (CHEMBL4085061) Show SMILES O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C26H28N4O2S/c31-22(27-18-10-3-1-4-11-18)16-9-17-33-26-29-23-20-14-7-8-15-21(20)28-24(23)25(32)30(26)19-12-5-2-6-13-19/h2,5-8,12-15,18,28H,1,3-4,9-11,16-17H2,(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	>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))	BDBM50250407 (CHEMBL4085061) Show SMILES O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C26H28N4O2S/c31-22(27-18-10-3-1-4-11-18)16-9-17-33-26-29-23-20-14-7-8-15-21(20)28-24(23)25(32)30(26)19-12-5-2-6-13-19/h2,5-8,12-15,18,28H,1,3-4,9-11,16-17H2,(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