BDBM50260003 CHEMBL4088791

SMILES: O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN=[N+]=[N-]

InChI Key: InChIKey=NICDEHXMCUCCOW-WZRBSPASSA-N

Data: 2 EC50

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 = 50260003   

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
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260003 (CHEMBL4088791) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN=[N+]=[N-] |r| Show InChI InChI=1S/C13H15ClN4O4/c14-9-4-2-1-3-8(9)12(20)16-5-10-11(19)13(21,7-22-10)6-17-18-15/h1-4,10-11,19,21H,5-7H2,(H,16,20)/t10-,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260003 (CHEMBL4088791) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN=[N+]=[N-] |r| Show InChI InChI=1S/C13H15ClN4O4/c14-9-4-2-1-3-8(9)12(20)16-5-10-11(19)13(21,7-22-10)6-17-18-15/h1-4,10-11,19,21H,5-7H2,(H,16,20)/t10-,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair