BDBM50054504 2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N-((S)-3-carbamimidoyl-2-hydroxy-cyclohexyl)-acetamide::CHEMBL140890

SMILES: NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O

InChI Key: InChIKey=CZYFQAJCCZGMEU-VIHIWDAPSA-N

Data: 3 IC50

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 = 50054504   

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))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054504 (2-((S)-3-Benzenesulfonylamino-2-oxo-azepan-1-yl)-N...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair