BDBM50425233 CHEMBL549344

SMILES: CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O

InChI Key: InChIKey=YZOQZEXYFLXNKA-UHFFFAOYSA-N

Data: 2 EC50

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 = 50425233   

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))	BDBM50425233 (CHEMBL549344) Show SMILES CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O Show InChI InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK293 cells by NFkappaB SEAP reporter gene assay				Bioorg Med Chem Lett 23: 669-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.114 BindingDB Entry DOI: 10.7270/Q2B859DG
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50425233 (CHEMBL549344) Show SMILES CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O Show InChI InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.22E+3	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma. Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at mouse TLR7				Bioorg Med Chem Lett 23: 669-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.114 BindingDB Entry DOI: 10.7270/Q2B859DG
					More data for this Ligand-Target Pair