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BDBM50046514 6-tert-Butylsulfanylmethyl-4-dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL420159

SMILES: CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSC(C)(C)C)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key: InChIKey=ZARZYYKEORQXDW-UPNZJDSISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046514   
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))		BDBM50046514
PNG
(6-tert-Butylsulfanylmethyl-4-dimethylamino-3,5,10,...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSC(C)(C)C)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C26H32N2O8S/c1-25(2,3)37-9-11-10-7-6-8-12(29)13(10)19(30)15-14(11)20(31)17-18(28(4)5)21(32)16(24(27)35)23(34)26(17,36)22(15)33/h6-8,11,14-18,20,29,31,36H,9H2,1-5H3,(H2,27,35)/t11-,14?,15?,16?,17?,18-,20-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 500n/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