BDBM50252325 CHEMBL4071152

SMILES: NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1

InChI Key: InChIKey=BIAMYZCEEUPXLJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50252325   

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 9 (Homo sapiens (Human))	BDBM50252325 (CHEMBL4071152) Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1 Show InChI InChI=1S/C27H37N5O3/c28-21-9-13-31(18-21)11-1-15-33-23-5-3-20(4-6-23)27-30-25-8-7-24(17-26(25)35-27)34-16-2-12-32-14-10-22(29)19-32/h3-8,17,21-22H,1-2,9-16,18-19,28-29H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at TLR9 in human plasmacytoid dendritic cells assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50252325 (CHEMBL4071152) Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1 Show InChI InChI=1S/C27H37N5O3/c28-21-9-13-31(18-21)11-1-15-33-23-5-3-20(4-6-23)27-30-25-8-7-24(17-26(25)35-27)34-16-2-12-32-14-10-22(29)19-32/h3-8,17,21-22H,1-2,9-16,18-19,28-29H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of CL264-induced NF-kappaB activation after 24 hrs by spectrophoto...				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair