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BDBM50217267 CHEMBL432966::L-741462

SMILES: [Cl-].[H][C@]12CC(=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=QCNGRYSBBMGZGQ-VMQKZSSASA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217267   
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)		BDBM50217267
PNG
(CHEMBL432966 | L-741462)
Show SMILES [Cl-].[H][C@]12CC(=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:3|
Show InChI InChI=1S/C31H32N4O6/c1-17(36)27-25-14-22(28(31(40)41)33(25)30(27)39)19-3-5-21-23(13-19)20-4-2-18(12-24(20)29(21)38)15-34-6-9-35(10-7-34,11-8-34)16-26(32)37/h2-5,12-13,17,25,27,36H,6-11,14-16H2,1H3,(H-2,32,37,40,41)/p+1/t17-,25-,27-,34?,35?/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 573n/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