BDBM50543466 CHEMBL4647818

SMILES: CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=SPKQTQHGAWZQEL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50543466   

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
TLR4-MD2 (Homo sapiens (Human))	BDBM50543466 (CHEMBL4647818) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-22(21)27-25(17)20-6-8-23(29-3)24(16-20)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR4 overexpressed in HEK-Blue cells assessed as inhibition of LPD-RK induced NFkappaB and AP-1 activation preincubated ...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543466 (CHEMBL4647818) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-22(21)27-25(17)20-6-8-23(29-3)24(16-20)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 overexpressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB and AP-1 activation preincub...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50543466 (CHEMBL4647818) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-22(21)27-25(17)20-6-8-23(29-3)24(16-20)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair
Toll-like receptor 3 (Homo sapiens)	BDBM50543466 (CHEMBL4647818) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-22(21)27-25(17)20-6-8-23(29-3)24(16-20)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR3 overexpressed in HEK-Blue cells assessed as inhibition of Poly IC-induced NFkappaB and AP-1 activation preincubated...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair