BDBM50520365 CHEMBL1906835

SMILES: COCCNc1cc(C)nc2ccccc12

InChI Key: InChIKey=JILGISJNBRYTPP-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 = 50520365   

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)	BDBM50520365 (CHEMBL1906835) Show SMILES COCCNc1cc(C)nc2ccccc12 Show InChI InChI=1S/C13H16N2O/c1-10-9-13(14-7-8-16-2)11-5-3-4-6-12(11)15-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.12E+6	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)	BDBM50520365 (CHEMBL1906835) Show SMILES COCCNc1cc(C)nc2ccccc12 Show InChI InChI=1S/C13H16N2O/c1-10-9-13(14-7-8-16-2)11-5-3-4-6-12(11)15-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.97E+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