BDBM234251 US9346821, B-21

SMILES: NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N(CC=C)CC(O)=O)s2)c(F)c1

InChI Key: InChIKey=IWZOSZUOJFYGKM-INIZCTEOSA-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 = 234251   

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
Serine protease 1 (Homo sapiens (Human))	BDBM234251 (US9346821, B-21) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N(CC=C)CC(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C22H23FN4O5S2/c1-2-7-26(10-19(28)29)21(30)16-11-33-12-27(16)9-14-4-6-18(34-14)22(31)32-17-5-3-13(20(24)25)8-15(17)23/h2-6,8,16H,1,7,9-12H2,(H3,24,25)(H,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	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
Enteropeptidase (Homo sapiens (Human))	BDBM234251 (US9346821, B-21) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N(CC=C)CC(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C22H23FN4O5S2/c1-2-7-26(10-19(28)29)21(30)16-11-33-12-27(16)9-14-4-6-18(34-14)22(31)32-17-5-3-13(20(24)25)8-15(17)23/h2-6,8,16H,1,7,9-12H2,(H3,24,25)(H,28,29)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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