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BDBM50217295 CHEMBL322522::L-742728

SMILES: [Cl-].[H][C@]12[C@@H](C)C(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(N)=O)(CC4)CC5)ccc3-c2c1

InChI Key: InChIKey=OQBXZXHSCNDZAY-CFZARQPGSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217295   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
PBP2


(Staphylococcus aureus)		BDBM50217295
PNG
(CHEMBL322522 | L-742728)
Show SMILES [Cl-].[H][C@]12[C@@H](C)C(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(N)=O)(CC4)CC5)ccc3-c2c1 |c:4|
Show InChI InChI=1S/C32H34N4O6/c1-17-26(29(32(41)42)34-28(17)27(18(2)37)31(34)40)20-4-6-22-23(14-20)21-5-3-19(13-24(21)30(22)39)15-35-7-10-36(11-8-35,12-9-35)16-25(33)38/h3-6,13-14,17-18,27-28,37H,7-12,15-16H2,1-2H3,(H-2,33,38,41,42)/p+1/t17-,18+,27+,28+,35?,36?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.

Bioorg Med Chem Lett 9: 3225-30 (1999)


BindingDB Entry DOI: 10.7270/Q2KW5J62
More data for this
Ligand-Target Pair