BDBM50110381 2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(6-amino-2-methyl-pyridin-3-yl)-2-oxo-propyl]-2-oxo-azepan-3-yl}-amide::CHEMBL424172

SMILES: Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O

InChI Key: InChIKey=PPPVZDLBHIHSNX-FQEVSTJZSA-N

Data: 3 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 3 hits for monomerid = 50110381   

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
Prothrombin (Homo sapiens (Human))	BDBM50110381 (2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...) Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O Show InChI InChI=1S/C23H28N4O5S/c1-15-16(5-8-22(24)25-15)12-18(28)14-27-10-3-2-4-20(23(27)29)26-33(30,31)19-6-7-21-17(13-19)9-11-32-21/h5-8,13,20,26H,2-4,9-12,14H2,1H3,(H2,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	40	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
Coagulation factor X (Homo sapiens (Human))	BDBM50110381 (2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...) Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O Show InChI InChI=1S/C23H28N4O5S/c1-15-16(5-8-22(24)25-15)12-18(28)14-27-10-3-2-4-20(23(27)29)26-33(30,31)19-6-7-21-17(13-19)9-11-32-21/h5-8,13,20,26H,2-4,9-12,14H2,1H3,(H2,24,25)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>338	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 Coagulation factor Xa determined in Vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50110381 (2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(...) Show SMILES Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O Show InChI InChI=1S/C23H28N4O5S/c1-15-16(5-8-22(24)25-15)12-18(28)14-27-10-3-2-4-20(23(27)29)26-33(30,31)19-6-7-21-17(13-19)9-11-32-21/h5-8,13,20,26H,2-4,9-12,14H2,1H3,(H2,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.68E+3	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