BDBM50324476 Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-chlorobenzyl)-amide Bis(trifluoroacetate)::CHEMBL1215084

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=MWLLGEVAEDIFRC-PKTZIBPZSA-N

Data: 5 KI

PDB links: 2 PDB IDs match this monomer.

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 5 hits for monomerid = 50324476   

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))	BDBM50324476 (Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universit£t Marburg Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Tos-Gly-Pro-Arg-AMCA-TFA as a substrate incubated for 40 secs and measured every 15 secs interval for 2...				J Med Chem 62: 9753-9771 (2019) Article DOI: 10.1021/acs.jmedchem.9b01196
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50324476 (Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matriptase (Homo sapiens (Human))	BDBM50324476 (Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	220	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
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50324476 (Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	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
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50324476 (Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	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
					More data for this Ligand-Target Pair