BDBM50520341 CHEMBL4465199

SMILES: Nc1cc(N2CCOCC2)c2ccccc2n1

InChI Key: InChIKey=LSGAWULNENTZPN-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 = 50520341   

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)	BDBM50520341 (CHEMBL4465199) Show SMILES Nc1cc(N2CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C13H15N3O/c14-13-9-12(16-5-7-17-8-6-16)10-3-1-2-4-11(10)15-13/h1-4,9H,5-8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.35E+5	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
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM50520341 (CHEMBL4465199) Show SMILES Nc1cc(N2CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C13H15N3O/c14-13-9-12(16-5-7-17-8-6-16)10-3-1-2-4-11(10)15-13/h1-4,9H,5-8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cel...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
					More data for this Ligand-Target Pair