BDBM50513219 CHEMBL4437757

SMILES: NC(=N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1

InChI Key: InChIKey=NSDVUXAFEOVNGB-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50513219   

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
Serine protease 1/Trypsin-2/Trypsin-3 (Homo sapiens (Human))	BDBM50513219 (CHEMBL4437757) Show SMILES NC(=N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H15N5O2/c15-9-1-7-12(8-2-9)21-14(20)19-11-5-3-10(4-6-11)18-13(16)17/h1-8H,15H2,(H,19,20)(H4,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025
					More data for this Ligand-Target Pair