Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil cytosol factor 1' and Ligand = 'BDBM50520367'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM50520367 (CHEMBL4438544) Show SMILES Nc1cc(N2CCN(CCOCCOCCOCCN3CCN(CC3)c3cc(N)nc4ccccc34)CC2)c2ccccc2n1 Show InChI InChI=1S/C34H46N8O3/c35-33-25-31(27-5-1-3-7-29(27)37-33)41-13-9-39(10-14-41)17-19-43-21-23-45-24-22-44-20-18-40-11-15-42(16-12-40)32-26-34(36)38-30-8-4-2-6-28(30)32/h1-8,25-26H,9-24H2,(H2,35,37)(H2,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+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 BindingDB Entry DOI: 10.7270/Q2TQ64XB
					More data for this Ligand-Target Pair
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM50520367 (CHEMBL4438544) Show SMILES Nc1cc(N2CCN(CCOCCOCCOCCN3CCN(CC3)c3cc(N)nc4ccccc34)CC2)c2ccccc2n1 Show InChI InChI=1S/C34H46N8O3/c35-33-25-31(27-5-1-3-7-29(27)37-33)41-13-9-39(10-14-41)17-19-43-21-23-45-24-22-44-20-18-40-11-15-42(16-12-40)32-26-34(36)38-30-8-4-2-6-28(30)32/h1-8,25-26H,9-24H2,(H2,35,37)(H2,36,38)	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	1.77E+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 BindingDB Entry DOI: 10.7270/Q2TQ64XB
					More data for this Ligand-Target Pair