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BDBM50046494 6-Cyclopentylsulfanylmethyl-4-dimethylamino-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL331492

SMILES: CN(C)[C@H]1C2CC3[C@@H](CSC4CCCC4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key: InChIKey=ZGOUHRWHZLSOBC-VMBFIJHVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046494   
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))		BDBM50046494
PNG
(6-Cyclopentylsulfanylmethyl-4-dimethylamino-3,10,1...)
Show SMILES CN(C)[C@H]1C2CC3[C@@H](CSC4CCCC4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C27H32N2O7S/c1-29(2)21-16-10-14-15(11-37-12-6-3-4-7-12)13-8-5-9-17(30)18(13)22(31)19(14)24(33)27(16,36)25(34)20(23(21)32)26(28)35/h5,8-9,12,14-16,19-21,30,36H,3-4,6-7,10-11H2,1-2H3,(H2,28,35)/t14?,15-,16?,19?,20?,21-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/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