BDBM50110373 4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl}-N-hydroxy-benzamidine::CHEMBL164910

SMILES: ONC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1

InChI Key: InChIKey=KKVLYNLPKLMYLV-NRFANRHFSA-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 = 50110373   

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/Trypsin-2/Trypsin-3 (Homo sapiens (Human))	BDBM50110373 (4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...) Show SMILES ONC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1 Show InChI InChI=1S/C24H28N4O6S/c25-23(26-31)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-35(32,33)20-8-9-22-18(14-20)10-12-34-22/h4-9,14,21,27,31H,1-3,10-13,15H2,(H2,25,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against trypsin determined in Vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50110373 (4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...) Show SMILES ONC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1 Show InChI InChI=1S/C24H28N4O6S/c25-23(26-31)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-35(32,33)20-8-9-22-18(14-20)10-12-34-22/h4-9,14,21,27,31H,1-3,10-13,15H2,(H2,25,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against human thrombin (FIIa) determined in vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair