BDBM50506252 CHEMBL4445004

SMILES: COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O

InChI Key: InChIKey=SFVRMDXSRZOLCX-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 = 50506252   

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
Interferon regulatory factor 3 (Homo sapiens)	BDBM50506252 (CHEMBL4445004) Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)35-23(33)27-11-7-8-12-30-19-17(13-15(20(25)31)14-18(19)34-4)28-22(30)29-21(32)16-9-5-6-10-26-16/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,25,31)(H,27,33)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay				J Med Chem 63: 260-282 (2020) Article DOI: 10.1021/acs.jmedchem.9b01567
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50506252 (CHEMBL4445004) Show SMILES COc1cc(cc2nc(NC(=O)c3ccccn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)35-23(33)27-11-7-8-12-30-19-17(13-15(20(25)31)14-18(19)34-4)28-22(30)29-21(32)16-9-5-6-10-26-16/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,25,31)(H,27,33)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay				J Med Chem 63: 260-282 (2020) Article DOI: 10.1021/acs.jmedchem.9b01567
					More data for this Ligand-Target Pair