BindingDB PrimarySearch

BDBM50324475 Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzyl)amide Bis-(trifluoroacetate)::CHEMBL1215083::CHEMBL1229259

SMILES: NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=QKFCYPKTTJCUSZ-YADHBBJMSA-N

Data: 12 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50324475
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of factor 10a				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane protease serine 11D (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader anal...				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of matriptase				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase catalytic domain expressed in HEK293 cells after 20 mins				J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 mins				J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of matriptase 2				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50324475 (Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase 2 expressed in HEK293 cells in conditioned medium after 20 mins				J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair