BDBM158096 US9024044, 24::US9227949, 24

SMILES: CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=MRDGTXNCJIRKAP-INIZCTEOSA-N

Data: 4 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 4 hits for monomerid = 158096   

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))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.270	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))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.270	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
Trypsin-1 (Homo sapiens (Human))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.01	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))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.01	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