null

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

InChI Key: InChIKey=NEIQENFRFQTURN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 158138   

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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.710	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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.710	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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.710	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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58	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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58	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))	BDBM158138 (US9024044, 66 | US9227949, 66 | US9655879, 66) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H26FN3O7S/c1-3-27(4-2,26(37)31-17-10-15(23(32)33)9-16(11-17)24(34)35)13-18-6-8-21(39-18)25(36)38-20-7-5-14(22(29)30)12-19(20)28/h5-12H,3-4,13H2,1-2H3,(H3,29,30)(H,31,37)(H,32,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58	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