BDBM50520361 CHEMBL4554830

SMILES: Nc1ccc2cc(OCCOCCOCCOCCOc3ccc4nc(N)ccc4c3)ccc2n1

InChI Key: InChIKey=RXKGUVOSZZCMQN-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50520361   

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
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM50520361 (CHEMBL4554830) Show SMILES Nc1ccc2cc(OCCOCCOCCOCCOc3ccc4nc(N)ccc4c3)ccc2n1 Show InChI InChI=1S/C26H30N4O5/c27-25-7-1-19-17-21(3-5-23(19)29-25)34-15-13-32-11-9-31-10-12-33-14-16-35-22-4-6-24-20(18-22)2-8-26(28)30-24/h1-8,17-18H,9-16H2,(H2,27,29)(H2,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
					More data for this Ligand-Target Pair