BDBM109613 US8609715, A-35

SMILES: CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=DNYIAXWWSUGOGI-WCRCJTMVSA-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 = 109613   

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
Enteropeptidase (Homo sapiens (Human))	BDBM109613 (US8609715, A-35) Show SMILES CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H20FN3O8/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(31-11)20(30)32-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.25	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
Trypsin-1 (Homo sapiens (Human))	BDBM109613 (US8609715, A-35) Show SMILES CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H20FN3O8/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(31-11)20(30)32-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.380	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