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BDBM50046509 4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-(3-methyl-butylsulfanylmethyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide::CHEMBL333888

SMILES: CC(C)CCSC[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=ISUVTEIVPBAKJP-UWTSEDSZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046509   
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))		BDBM50046509
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-(3-me...)
Show SMILES CC(C)CCSC[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/C27H34N2O8S/c1-11(2)8-9-38-10-13-12-6-5-7-14(30)15(12)21(31)17-16(13)22(32)19-20(29(3)4)23(33)18(26(28)36)25(35)27(19,37)24(17)34/h5-7,11,13,16-20,22,30,32,37H,8-10H2,1-4H3,(H2,28,36)/t13-,16?,17?,18?,19?,20-,22-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/a 300n/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