Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50172107'   

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
Peregrin (Homo sapiens (Human))	BDBM50172107 (CHEMBL3810303) Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to human His-tagged BRPF1b (626 to 740 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measure...				J Med Chem 59: 3087-97 (2016) Article DOI: 10.1021/acs.jmedchem.5b01757 BindingDB Entry DOI: 10.7270/Q2MP556R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50172107 (CHEMBL3810303) Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay				J Med Chem 59: 5555-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00215 BindingDB Entry DOI: 10.7270/Q22Z17GF
					More data for this Ligand-Target Pair				3D Structure (crystal)