BDBM234249 US9346821, B-18

SMILES: NC(=N)c1ccc(OC(=O)c2ccc(CN3CCCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1

InChI Key: InChIKey=IMLFZOQSBRIKFR-HOTGVXAUSA-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 = 234249   

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))	BDBM234249 (US9346821, B-18) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C23H25FN4O7S/c24-14-9-12(20(25)26)4-6-17(14)35-23(34)18-7-5-13(36-18)11-28-8-2-1-3-16(28)21(31)27-15(22(32)33)10-19(29)30/h4-7,9,15-16H,1-3,8,10-11H2,(H3,25,26)(H,27,31)(H,29,30)(H,32,33)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9346821 (2016) BindingDB Entry DOI: 10.7270/Q2RB73G2
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM234249 (US9346821, B-18) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCCC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C23H25FN4O7S/c24-14-9-12(20(25)26)4-6-17(14)35-23(34)18-7-5-13(36-18)11-28-8-2-1-3-16(28)21(31)27-15(22(32)33)10-19(29)30/h4-7,9,15-16H,1-3,8,10-11H2,(H3,25,26)(H,27,31)(H,29,30)(H,32,33)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.920	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9346821 (2016) BindingDB Entry DOI: 10.7270/Q2RB73G2
					More data for this Ligand-Target Pair