BDBM158079 US9024044, 7::US9227949, 7::US9655879, 7

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

InChI Key: InChIKey=LWAVAXQFRSKGMV-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 = 158079   

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))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	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
Enteropeptidase (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	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))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	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
Trypsin-1 (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.33	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
Trypsin-1 (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.33	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
Trypsin-1 (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.33	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