BDBM50458510 CHEMBL4211590

SMILES: CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1

InChI Key: InChIKey=WDBKHAMRENUYTF-PGUFJCEWSA-N

Data: 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 1 hit for monomerid = 50458510   

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
Penicillin-binding protein 1B (Acinetobacter baumannii)	BDBM50458510 (CHEMBL4211590) Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r| Show InChI InChI=1S/C36H55N4O6P/c1-3-5-6-7-8-9-10-11-12-16-25-40-28-34(38-39-40)29-45-35(36(41)44-4-2)30-47(42,43)46-26-17-24-37-27-31-20-22-33(23-21-31)32-18-14-13-15-19-32/h13-15,18-23,28,35,37H,3-12,16-17,24-27,29-30H2,1-2H3,(H,42,43)/t35-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...				Eur J Med Chem 150: 729-741 (2018) Article DOI: 10.1016/j.ejmech.2018.03.034 BindingDB Entry DOI: 10.7270/Q27M0BJ9
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