BDBM50252292 CHEMBL4067391

SMILES: C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1

InChI Key: InChIKey=PMACZYRZYCCPKP-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 = 50252292   

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 7 (Homo sapiens (Human))	BDBM50252292 (CHEMBL4067391) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1 Show InChI InChI=1S/C25H31N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-8,17-19,26H,1-2,4,9-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+3	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252292 (CHEMBL4067391) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1 Show InChI InChI=1S/C25H31N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-8,17-19,26H,1-2,4,9-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	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