BDBM50239339 CHEMBL4091730

SMILES: Cl.Cl.Cl.Cl.CCOCCOc1c2Cc3cc(Cc4cc(NC(N)=N)cc(Cc5cc(NC(N)=N)cc(Cc1cc(NC(N)=N)c2)c5OCCOCC)c4OCCOCC)cc(NC(N)=N)c3

InChI Key: InChIKey=DBYUOWQHLSBKPZ-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50239339   

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
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50239339 (CHEMBL4091730) Show SMILES Cl.Cl.Cl.Cl.CCOCCOc1c2Cc3cc(Cc4cc(NC(N)=N)cc(Cc5cc(NC(N)=N)cc(Cc1cc(NC(N)=N)c2)c5OCCOCC)c4OCCOCC)cc(NC(N)=N)c3 Show InChI InChI=1S/C44H60N12O6/c1-4-57-7-10-60-38-28-14-26-13-27(17-34(16-26)53-41(45)46)15-29-21-36(55-43(49)50)23-31(39(29)61-11-8-58-5-2)19-33-25-37(56-44(51)52)24-32(40(33)62-12-9-59-6-3)18-30(38)22-35(20-28)54-42(47)48/h13,16-17,20-25H,4-12,14-15,18-19H2,1-3H3,(H4,45,46,53)(H4,47,48,54)(H4,49,50,55)(H4,51,52,56)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Binding affinity to CD14/MD2 (unknown origin) expressed in HEK-Blue cells co-expressing TLR4 assessed as inhibition of LPS-induced TLR4 signaling pre...				J Med Chem 60: 4882-4892 (2017) Article DOI: 10.1021/acs.jmedchem.7b00095 BindingDB Entry DOI: 10.7270/Q2C24ZJ0
					More data for this Ligand-Target Pair