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BDBM50046511 4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-methylsulfanylmethyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL123848

SMILES: 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=YFRAVEGOLCVCHF-HKQXYVTFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046511   
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
Multidrug translocase mdfA


(Escherichia coli (strain K12))		BDBM50046511
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-methy...)
Show SMILES 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/C23H26N2O8S/c1-25(2)16-15-18(28)12-9(7-34-3)8-5-4-6-10(26)11(8)17(27)13(12)20(30)23(15,33)21(31)14(19(16)29)22(24)32/h4-6,9,12-16,18,26,28,33H,7H2,1-3H3,(H2,24,32)/t9-,12?,13?,14?,15?,16-,18-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/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