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BDBM50046520 6-(4-Chloro-phenylsulfanylmethyl)-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::CHEMBL121816

SMILES: CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSc4ccc(Cl)cc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key: InChIKey=TYSARVKYDXXUKP-KASYCCTQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046520   
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))		BDBM50046520
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-4-dimethylamino-...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSc4ccc(Cl)cc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C28H27ClN2O8S/c1-31(2)21-20-23(34)17-14(10-40-12-8-6-11(29)7-9-12)13-4-3-5-15(32)16(13)22(33)18(17)25(36)28(20,39)26(37)19(24(21)35)27(30)38/h3-9,14,17-21,23,32,34,39H,10H2,1-2H3,(H2,30,38)/t14-,17?,18?,19?,20?,21-,23-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+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