BDBM83711 MLS002425477::SMR001371403::cid_45479837

SMILES: [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC

InChI Key: InChIKey=NBYCYLBFMZPBGH-VJUOEERUSA-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 = 83711   

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
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM83711 (MLS002425477 | SMR001371403 | cid_45479837) Show SMILES [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC Show InChI InChI=1S/C26H27BrN2O5/c1-4-33-24(31)22-19-14-34-20-10-9-17(27)11-18(20)23(19)29-21(30)13-28(25(32)26(22,29)3)12-16-7-5-15(2)6-8-16/h5-11,19,22-23H,4,12-14H2,1-3H3/t19-,22-,23-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM83711 (MLS002425477 | SMR001371403 | cid_45479837) Show SMILES [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC Show InChI InChI=1S/C26H27BrN2O5/c1-4-33-24(31)22-19-14-34-20-10-9-17(27)11-18(20)23(19)29-21(30)13-28(25(32)26(22,29)3)12-16-7-5-15(2)6-8-16/h5-11,19,22-23H,4,12-14H2,1-3H3/t19-,22-,23-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair