BDBM50250415 CHEMBL4065290

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

InChI Key: InChIKey=QREMZFUHKSPFAC-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 = 50250415   

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 (Homo sapiens (Human))	BDBM50250415 (CHEMBL4065290) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C Show InChI InChI=1S/C27H26N4O2S/c1-3-18-14-15-22-21(16-18)24-25(30(22)2)26(33)31(20-12-8-5-9-13-20)27(29-24)34-17-23(32)28-19-10-6-4-7-11-19/h1,5,8-9,12-16,19H,4,6-7,10-11,17H2,2H3,(H,28,32)	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	3.27E+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
Toll-like receptor 4/MD-2/CD14 (Mus musculus)	BDBM50250415 (CHEMBL4065290) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C Show InChI InChI=1S/C27H26N4O2S/c1-3-18-14-15-22-21(16-18)24-25(30(22)2)26(33)31(20-12-8-5-9-13-20)27(29-24)34-17-23(32)28-19-10-6-4-7-11-19/h1,5,8-9,12-16,19H,4,6-7,10-11,17H2,2H3,(H,28,32)	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	2.74E+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