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BDBM50046495 4-Dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-dioxo-6-phenylsulfanylmethyl-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL334155

SMILES: CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSc4ccccc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key: InChIKey=JLKJTDYKYVEZOO-KASYCCTQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046495   
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))		BDBM50046495
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-di...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSc4ccccc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C28H28N2O8S/c1-30(2)21-20-23(33)17-14(11-39-12-7-4-3-5-8-12)13-9-6-10-15(31)16(13)22(32)18(17)25(35)28(20,38)26(36)19(24(21)34)27(29)37/h3-10,14,17-21,23,31,33,38H,11H2,1-2H3,(H2,29,37)/t14-,17?,18?,19?,20?,21-,23-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.90E+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