BDBM50513215 CHEMBL4561509

SMILES: NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1

InChI Key: InChIKey=HUQGFODZSCBSLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50513215   

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))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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
Prothrombin (Homo sapiens (Human))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (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