BDBM50260002 CHEMBL4096484

SMILES: O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNCc1ccccc1

InChI Key: InChIKey=ZYCCFHZVAKLNFX-GGPKGHCWSA-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 = 50260002   

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))	BDBM50260002 (CHEMBL4096484) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNCc1ccccc1 |r| Show InChI InChI=1S/C20H23ClN2O4/c21-16-9-5-4-8-15(16)19(25)23-11-17-18(24)20(26,13-27-17)12-22-10-14-6-2-1-3-7-14/h1-9,17-18,22,24,26H,10-13H2,(H,23,25)/t17-,18-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.32E+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 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))	BDBM50260002 (CHEMBL4096484) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNCc1ccccc1 |r| Show InChI InChI=1S/C20H23ClN2O4/c21-16-9-5-4-8-15(16)19(25)23-11-17-18(24)20(26,13-27-17)12-22-10-14-6-2-1-3-7-14/h1-9,17-18,22,24,26H,10-13H2,(H,23,25)/t17-,18-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.42E+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