BDBM50046510 4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-isobutylsulfanylmethyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL122262

SMILES: CC(C)CSC[C@@H]1C2[C@H](O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12

InChI Key: InChIKey=OOQPZNWRQAEFOP-VXMHNAGESA-N

Data: 1 IC50

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 1 hit for monomerid = 50046510   

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
Multidrug translocase mdfA (Escherichia coli (strain K12))	BDBM50046510 (4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-isobu...) Show SMILES CC(C)CSC[C@@H]1C2[C@H](O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C26H32N2O8S/c1-10(2)8-37-9-12-11-6-5-7-13(29)14(11)20(30)16-15(12)21(31)18-19(28(3)4)22(32)17(25(27)35)24(34)26(18,36)23(16)33/h5-7,10,12,15-19,21,29,31,36H,8-9H2,1-4H3,(H2,27,35)/t12-,15?,16?,17?,18?,19-,21-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of [3H]tetracycline uptake into everted membrane vesicles, prepared from tetracycline resistant Escherichia coli D1-209				J Med Chem 36: 370-7 (1993) BindingDB Entry DOI: 10.7270/Q2XW4KDW
					More data for this Ligand-Target Pair