BDBM50250418 CHEMBL4073017

SMILES: Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=UEEJVRGQULFEMN-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 = 50250418   

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)	BDBM50250418 (CHEMBL4073017) Show SMILES Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25IN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(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	2.51E+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))	BDBM50250418 (CHEMBL4073017) Show SMILES Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25IN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(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	3.75E+3	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