BindingDB PrimarySearch

BDBM45440 4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid::4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid::4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid::CHEMBL494163::MLS000028738::PENTAMIDINE::PENTAMIDINE ISETHIONATE::SMR000059147::cid_359323

SMILES: NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=XDRYMKDFEDOLFX-UHFFFAOYSA-N

Data: 6 KI 52 IC50 3 Kd 1 EC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 62 hits for monomerid = 45440
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Plasminogen (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Direct inhibition of human plasmin preincubated for 10 mins followed by spectrozyme PL addition				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060
Philipps University Marburg Curated by ChEMBL					More data for this Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1 (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of PTP4A1 (unknown origin)				Bioorg Med Chem Lett 29: 2008-2015 (2019) Article DOI: 10.1016/j.bmcl.2019.06.048
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 4A3 (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of PTP4A3 (unknown origin)				Bioorg Med Chem Lett 29: 2008-2015 (2019) Article DOI: 10.1016/j.bmcl.2019.06.048
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
NR1/NR2A (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	7.6	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced cur...				Bioorg Med Chem 22: 1983-92 (2014) Article DOI: 10.1016/j.bmc.2014.02.049 BindingDB Entry DOI: 10.7270/Q2N29ZGG
Xavier University of Louisiana Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University					Assay Description Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...				J Enzyme Inhib Med Chem 25: 629-34 (2010) Article DOI: 10.3109/14756360903389872 BindingDB Entry DOI: 10.7270/Q2SB44NW
Medical University					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University					Assay Description Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...				J Enzyme Inhib Med Chem 25: 629-34 (2010) Article DOI: 10.3109/14756360903389872 BindingDB Entry DOI: 10.7270/Q2SB44NW
Medical University					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University					Assay Description Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...				J Enzyme Inhib Med Chem 25: 629-34 (2010) Article DOI: 10.3109/14756360903389872 BindingDB Entry DOI: 10.7270/Q2SB44NW
Medical University					More data for this Ligand-Target Pair
Protein tyrosine phosphatase type IVA 2 (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of PTP4A2 (unknown origin)				Bioorg Med Chem Lett 29: 2008-2015 (2019) Article DOI: 10.1016/j.bmcl.2019.06.048
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.79E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair

<< First | Previous | Displayed 51 to 62 (of 62 total )