BDBM50015234 4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE::4-[6-(4-Carbamimidoyl-phenoxy)-hexyloxy]-benzamidine::4-{6-[4-amino(imino)methylphenoxy]hexyloxy}phenyl-iminomethanamine::4-{6-[4-ammino(imino)methylphenoxy]hexyloxy}phenyl-iminomethanammine::CHEMBL25105::Hexamidine::US9138393, Hexamidine diisethionate::US9144538, Hexamidine diisethionate

SMILES: NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=OQLKNTOKMBVBKV-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 1 PDB ID matches 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 6 hits for monomerid = 50015234   

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))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Thrombin				J Med Chem 44: 1349-55 (2001) BindingDB Entry DOI: 10.7270/Q2057F62
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	924	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Matriptase				J Med Chem 44: 1349-55 (2001) BindingDB Entry DOI: 10.7270/Q2057F62
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of trypsin by amidase assay.				J Med Chem 33: 1252-7 (1990) BindingDB Entry DOI: 10.7270/Q2154HNW
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description compound was tested for inhibitory activity against Urokinase-type plasminogen activator(microPa)				J Med Chem 44: 1349-55 (2001) BindingDB Entry DOI: 10.7270/Q2057F62
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50015234 (4,4''[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDA...) Show SMILES NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair