BDBM109685 US8609715, B-42

SMILES: CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O

InChI Key: InChIKey=PJXAFQKIXSYHNC-UHFFFAOYSA-N

Data: 2 KI

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 = 109685   

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
Trypsin-1 (Homo sapiens (Human))	BDBM109685 (US8609715, B-42) Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O Show InChI InChI=1S/C17H19FN3O6PS/c1-9(16(22)21-8-28(24,25)26)6-11-3-5-14(29-11)17(23)27-13-4-2-10(15(19)20)7-12(13)18/h2-5,7,9H,6,8H2,1H3,(H3,19,20)(H,21,22)(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Inhibition assay using human trysin.				US Patent US8609715 (2013) BindingDB Entry DOI: 10.7270/Q2Z31X9X
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM109685 (US8609715, B-42) Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O Show InChI InChI=1S/C17H19FN3O6PS/c1-9(16(22)21-8-28(24,25)26)6-11-3-5-14(29-11)17(23)27-13-4-2-10(15(19)20)7-12(13)18/h2-5,7,9H,6,8H2,1H3,(H3,19,20)(H,21,22)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Inhibition assay using human enteropeptidase.				US Patent US8609715 (2013) BindingDB Entry DOI: 10.7270/Q2Z31X9X
					More data for this Ligand-Target Pair