BDBM50239338 CHEMBL4070859

SMILES: Cl.Cl.Cl.Cl.CCCCCCCCOc1c2Cc3cc(Cc4cc(NC(N)=N)cc(Cc5cc(NC(N)=N)cc(Cc1cc(NC(N)=N)c2)c5OCCCCCCCC)c4OCCCCCCCC)cc(NC(N)=N)c3

InChI Key: InChIKey=ZWJIOXIPIMTBHS-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 = 50239338   

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))	BDBM50239338 (CHEMBL4070859) Show SMILES Cl.Cl.Cl.Cl.CCCCCCCCOc1c2Cc3cc(Cc4cc(NC(N)=N)cc(Cc5cc(NC(N)=N)cc(Cc1cc(NC(N)=N)c2)c5OCCCCCCCC)c4OCCCCCCCC)cc(NC(N)=N)c3 Show InChI InChI=1S/C56H84N12O3/c1-4-7-10-13-16-19-22-69-50-40-26-38-25-39(29-46(28-38)65-53(57)58)27-41-33-48(67-55(61)62)35-43(51(41)70-23-20-17-14-11-8-5-2)31-45-37-49(68-56(63)64)36-44(30-42(50)34-47(32-40)66-54(59)60)52(45)71-24-21-18-15-12-9-6-3/h25,28-29,32-37H,4-24,26-27,30-31H2,1-3H3,(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H4,63,64,68)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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