BDBM50452815 CHEMBL2005280

SMILES: OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1

InChI Key: InChIKey=JHALWMSZGCVVEM-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50452815   

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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM50452815 (CHEMBL2005280) Show SMILES OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1 Show InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM50452815 (CHEMBL2005280) Show SMILES OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1 Show InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair