BDBM158131 US9024044, 59::US9227949, 59::US9655879, 59

SMILES: CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI Key: InChIKey=WDYKMWXZCPOZKO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 158131   

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))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	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 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. 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 US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	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 US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. 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 US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.490	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 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.490	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 US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair