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BDBM50046516 3-(9-Carbamoyl-7-dimethylamino-1,6,8,10a,11-pentahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-naphthacen-5-ylmethylsulfanyl)-propionic acid::CHEMBL332172

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

InChI Key: InChIKey=XTELZERUCTXPFU-HNAUKDARSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046516   
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))		BDBM50046516
PNG
(3-(9-Carbamoyl-7-dimethylamino-1,6,8,10a,11-pentah...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCCC(O)=O)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C25H28N2O10S/c1-27(2)18-17-20(32)14-10(8-38-7-6-12(29)30)9-4-3-5-11(28)13(9)19(31)15(14)22(34)25(17,37)23(35)16(21(18)33)24(26)36/h3-5,10,14-18,20,28,32,37H,6-8H2,1-2H3,(H2,26,36)(H,29,30)/t10-,14?,15?,16?,17?,18-,20-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.32E+4n/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