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BDBM50046517 4-Dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-dioxo-6-propylsulfanylmethyl-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL338009

SMILES: CCCSC[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=NSEBJHHMDPPPRT-QXXLHMMCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046517   
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))		BDBM50046517
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-di...)
Show SMILES CCCSC[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/C25H30N2O8S/c1-4-8-36-9-11-10-6-5-7-12(28)13(10)19(29)15-14(11)20(30)17-18(27(2)3)21(31)16(24(26)34)23(33)25(17,35)22(15)32/h5-7,11,14-18,20,28,30,35H,4,8-9H2,1-3H3,(H2,26,34)/t11-,14?,15?,16?,17?,18-,20-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 700n/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