BDBM50012177 CHEMBL3265226

SMILES: CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O

InChI Key: InChIKey=JIGNDUNBKKQBKB-OIANMIDYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012177   

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 1A (Pseudomonas aeruginosa PAO1)	BDBM50012177 (CHEMBL3265226) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
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