BDBM152706 Chlorhexidine::Chlorhexidine (1)

SMILES: Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=GHXZTYHSJHQHIJ-UHFFFAOYSA-N

Data: 2 KI  1 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 = 152706   

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
Acetylpolyamine oxidase (APAO) (Homo sapiens (Human))	BDBM152706 (Chlorhexidine | Chlorhexidine (1)) Show SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	100	-9.54	n/a	n/a	n/a	n/a	n/a	7.5	25
University Roma Tre					Assay Description The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (ε515 nm = 2.6 × 10^4 M−1 cm&...				J Enzyme Inhib Med Chem 28: 463-7 (2013) Article DOI: 10.3109/14756366.2011.650691 BindingDB Entry DOI: 10.7270/Q2X065ZW
					More data for this Ligand-Target Pair
Spermine oxidase (SMO) (Homo sapiens (Human))	BDBM152706 (Chlorhexidine | Chlorhexidine (1)) Show SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	550	-8.53	n/a	n/a	n/a	n/a	n/a	8.3	25
University Roma Tre					Assay Description The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (ε515 nm = 2.6 × 10^4 M−1 cm&...				J Enzyme Inhib Med Chem 28: 463-7 (2013) Article DOI: 10.3109/14756366.2011.650691 BindingDB Entry DOI: 10.7270/Q2X065ZW
					More data for this Ligand-Target Pair
Eis_Ban acetyltransferase (Eis_Ban) (Bacillus anthracis str. Sterne)	BDBM152706 (Chlorhexidine | Chlorhexidine (1)) Show SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	8.0	n/a
University of Kentucky					Assay Description Briefly, reactions (200 μL) contained compounds 1−3 dissolved in Tris-HCl buffer (50 mM, pH 8.0, 10% DMSO) with a 5-fold serial dilution, ...				Biochemistry 54: 3197-206 (2015) Article DOI: 10.1021/acs.biochem.5b00244 BindingDB Entry DOI: 10.7270/Q2TT4PP3
					More data for this Ligand-Target Pair