BDBM50520359 CHEMBL4525491

SMILES: COCCNc1cc(N)nc2ccccc12

InChI Key: InChIKey=HEDDTGIEHKYWOX-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 = 50520359   

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)	BDBM50520359 (CHEMBL4525491) Show SMILES COCCNc1cc(N)nc2ccccc12 Show InChI InChI=1S/C12H15N3O/c1-16-7-6-14-11-8-12(13)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.92E+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)	BDBM50520359 (CHEMBL4525491) Show SMILES COCCNc1cc(N)nc2ccccc12 Show InChI InChI=1S/C12H15N3O/c1-16-7-6-14-11-8-12(13)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)	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	5.74E+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