BDBM50330325 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid::CHEMBL858::Edetate::Edetic Acid::[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid::edta::{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID::{[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid::{[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA)

SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

InChI Key: InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 28 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 7 hits for monomerid = 50330325   

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
VIM-1 (Pseudomonas aeruginosa)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Son Dureta Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins				Antimicrob Agents Chemother 52: 3589-96 (2008) Article DOI: 10.1128/AAC.00465-08 BindingDB Entry DOI: 10.7270/Q2JQ1186
					More data for this Ligand-Target Pair
Class B carbapenemase VIM-13 (Pseudomonas aeruginosa)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Son Dureta Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins				Antimicrob Agents Chemother 52: 3589-96 (2008) Article DOI: 10.1128/AAC.00465-08 BindingDB Entry DOI: 10.7270/Q2JQ1186
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Phosphodiesterase (Crotalus adamanteus)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Serpentes (snake) venom phosphodiesterase using bis(p-nitrophenyl)phosphate as substrate incubated for 30 min prior to substrate additi...				Citation and Details Article DOI: 10.1007/s00044-011-9804-0 BindingDB Entry DOI: 10.7270/Q24B346S
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Wilmington Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin) using hippuryl-L-histidyl-L-leucine as substrate preincubated with substrate for 30 mins followed by enzyme additi...				J Nat Prod 81: 349-355 (2018) Article DOI: 10.1021/acs.jnatprod.7b00829 BindingDB Entry DOI: 10.7270/Q2R78HSD
					More data for this Ligand-Target Pair
Phosphodiesterase (Crotalus adamanteus)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of snake venom phosphodiesterase using bis-(para-nitrophenyl)phosphate as substrate after 30 min by spectrophotometric analysis				Citation and Details Article DOI: 10.1007/s00044-013-0523-6 BindingDB Entry DOI: 10.7270/Q2GH9MV6
					More data for this Ligand-Target Pair
β-lactamase (Bla2) (Bacillus anthracis)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+6	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair