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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Multidrug translocase mdfA ' AND taxid = 83333   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046512
PNG
(6-Cyclopentylsulfanylmethyl-4-dimethylamino-3,5,10...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSC4CCCC4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C27H32N2O8S/c1-29(2)20-19-22(32)16-13(10-38-11-6-3-4-7-11)12-8-5-9-14(30)15(12)21(31)17(16)24(34)27(19,37)25(35)18(23(20)33)26(28)36/h5,8-9,11,13,16-20,22,30,32,37H,3-4,6-7,10H2,1-2H3,(H2,28,36)/t13-,16?,17?,18?,19?,20-,22-,27-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046510
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-isobu...)
Show SMILES CC(C)CSC[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/C26H32N2O8S/c1-10(2)8-37-9-12-11-6-5-7-13(29)14(11)20(30)16-15(12)21(31)18-19(28(3)4)22(32)17(25(27)35)24(34)26(18,36)23(16)33/h5-7,10,12,15-19,21,29,31,36H,8-9H2,1-4H3,(H2,27,35)/t12-,15?,16?,17?,18?,19-,21-,26-/m0/s1
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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)

More data for this
Ligand-Target Pair
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
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046514
PNG
(6-tert-Butylsulfanylmethyl-4-dimethylamino-3,5,10,...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSC(C)(C)C)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C26H32N2O8S/c1-25(2,3)37-9-11-10-7-6-8-12(29)13(10)19(30)15-14(11)20(31)17-18(28(4)5)21(32)16(24(27)35)23(34)26(17,36)22(15)33/h6-8,11,14-18,20,29,31,36H,9H2,1-5H3,(H2,27,35)/t11-,14?,15?,16?,17?,18-,20-,26-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046496
PNG
((4S,5S,6R,12aS)-6-(3-Chloro-propylsulfanylmethyl)-...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCCCCl)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C25H29ClN2O8S/c1-28(2)18-17-20(31)14-11(9-37-8-4-7-26)10-5-3-6-12(29)13(10)19(30)15(14)22(33)25(17,36)23(34)16(21(18)32)24(27)35/h3,5-6,11,14-18,20,29,31,36H,4,7-9H2,1-2H3,(H2,27,35)/t11-,14?,15?,16?,17?,18-,20-,25-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046502
PNG
(6-Cyclohexylsulfanylmethyl-4-dimethylamino-3,5,10,...)
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/C28H34N2O8S/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/h6,9-10,12,14,17-21,23,31,33,38H,3-5,7-8,11H2,1-2H3,(H2,29,37)/t14-,17?,18?,19?,20?,21-,23-,28-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046517
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-1,11-di...)
Show SMILES CCCSC[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/C25H30N2O8S/c1-4-8-36-9-11-10-6-5-7-12(28)13(10)19(29)15-14(11)20(30)17-18(27(2)3)21(31)16(24(26)34)23(33)25(17,35)22(15)32/h5-7,11,14-18,20,28,30,35H,4,8-9H2,1-3H3,(H2,26,34)/t11-,14?,15?,16?,17?,18-,20-,25-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046503
PNG
(4-Dimethylamino-6-ethylsulfanylmethyl-3,5,10,12,12...)
Show SMILES 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/C24H28N2O8S/c1-4-35-8-10-9-6-5-7-11(27)12(9)18(28)14-13(10)19(29)16-17(26(2)3)20(30)15(23(25)33)22(32)24(16,34)21(14)31/h5-7,10,13-17,19,27,29,34H,4,8H2,1-3H3,(H2,25,33)/t10-,13?,14?,15?,16?,17-,19-,24-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046493
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](CS(=O)Cc4ccccc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C29H30N2O9S/c1-31(2)22-21-24(34)18-15(12-41(40)11-13-7-4-3-5-8-13)14-9-6-10-16(32)17(14)23(33)19(18)26(36)29(21,39)27(37)20(25(22)35)28(30)38/h3-10,15,18-22,24,32,34,39H,11-12H2,1-2H3,(H2,30,38)/t15-,18?,19?,20?,21?,22-,24-,29-,41?/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046504
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-isopr...)
Show SMILES CC(C)SC[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/C25H30N2O8S/c1-9(2)36-8-11-10-6-5-7-12(28)13(10)19(29)15-14(11)20(30)17-18(27(3)4)21(31)16(24(26)34)23(33)25(17,35)22(15)32/h5-7,9,11,14-18,20,28,30,35H,8H2,1-4H3,(H2,26,34)/t11-,14?,15?,16?,17?,18-,20-,25-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046499
PNG
(6-Butylsulfanylmethyl-4-dimethylamino-3,5,10,12,12...)
Show SMILES CCCCSC[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/C26H32N2O8S/c1-4-5-9-37-10-12-11-7-6-8-13(29)14(11)20(30)16-15(12)21(31)18-19(28(2)3)22(32)17(25(27)35)24(34)26(18,36)23(16)33/h6-8,12,15-19,21,29,31,36H,4-5,9-10H2,1-3H3,(H2,27,35)/t12-,15?,16?,17?,18?,19-,21-,26-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046492
PNG
(6-Cyclopentylsulfanylmethyl-4-dimethylamino-3,5,10...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSC4CCCC4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCOCC2)C1=O
Show InChI InChI=1S/C32H41N3O9S/c1-34(2)25-24-27(38)21-18(14-45-16-6-3-4-7-16)17-8-5-9-19(36)20(17)26(37)22(21)29(40)32(24,43)30(41)23(28(25)39)31(42)33-15-35-10-12-44-13-11-35/h5,8-9,16,18,21-25,27,36,38,43H,3-4,6-7,10-15H2,1-2H3,(H,33,42)/t18-,21?,22?,23?,24?,25-,27-,32-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046507
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-(4-me...)
Show SMILES COc1ccc(SC[C@@H]2C3[C@H](O)C4[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]4(O)C(=O)C3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C29H30N2O9S/c1-31(2)22-21-24(34)18-15(11-41-13-9-7-12(40-3)8-10-13)14-5-4-6-16(32)17(14)23(33)19(18)26(36)29(21,39)27(37)20(25(22)35)28(30)38/h4-10,15,18-22,24,32,34,39H,11H2,1-3H3,(H2,30,38)/t15-,18?,19?,20?,21?,22-,24-,29-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046498
PNG
(6-(4-Bromo-phenylsulfanylmethyl)-4-dimethylamino-3...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSc4ccc(Br)cc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C28H27BrN2O8S/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
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046501
PNG
(6-Benzylsulfanylmethyl-4-dimethylamino-3,5,10,12,1...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCc4ccccc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C29H30N2O8S/c1-31(2)22-21-24(34)18-15(12-40-11-13-7-4-3-5-8-13)14-9-6-10-16(32)17(14)23(33)19(18)26(36)29(21,39)27(37)20(25(22)35)28(30)38/h3-10,15,18-22,24,32,34,39H,11-12H2,1-2H3,(H2,30,38)/t15-,18?,19?,20?,21?,22-,24-,29-/m0/s1
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046519
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](CS(=O)(=O)Cc4ccccc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C29H30N2O10S/c1-31(2)22-21-24(34)18-15(12-42(40,41)11-13-7-4-3-5-8-13)14-9-6-10-16(32)17(14)23(33)19(18)26(36)29(21,39)27(37)20(25(22)35)28(30)38/h3-10,15,18-22,24,32,34,39H,11-12H2,1-2H3,(H2,30,38)/t15-,18?,19?,20?,21?,22-,24-,29-/m0/s1
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n/an/a 1.50E+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)

More data for this
Ligand-Target Pair
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
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046497
PNG
(6-(4-Chloro-benzylsulfanylmethyl)-4-dimethylamino-...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCc4ccc(Cl)cc4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C29H29ClN2O8S/c1-32(2)22-21-24(35)18-15(11-41-10-12-6-8-13(30)9-7-12)14-4-3-5-16(33)17(14)23(34)19(18)26(37)29(21,40)27(38)20(25(22)36)28(31)39/h3-9,15,18-22,24,33,35,40H,10-11H2,1-2H3,(H2,31,39)/t15-,18?,19?,20?,21?,22-,24-,29-/m0/s1
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n/an/a 2.10E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM55038
PNG
((2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,12-15,17,25,27,32H,1H2,2-3H3,(H2,23,31)/t10-,12?,13?,14-,15+,17+,22+/m1/s1
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n/an/a 2.50E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50422012
PNG
(Klinomycin | MINOCYCLINE | Minocin | Vectrin)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,14?,16?,17-,23-/m0/s1
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n/an/a 2.60E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046518
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-(2-hy...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCCO)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C24H28N2O9S/c1-26(2)17-16-19(30)13-10(8-36-7-6-27)9-4-3-5-11(28)12(9)18(29)14(13)21(32)24(16,35)22(33)15(20(17)31)23(25)34/h3-5,10,13-17,19,27-28,30,35H,6-8H2,1-2H3,(H2,25,34)/t10-,13?,14?,15?,16?,17-,19-,24-/m0/s1
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n/an/a 4.70E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046508
PNG
(4-Dimethylamino-6-hexylsulfanylmethyl-3,5,10,12,12...)
Show SMILES CCCCCCSC[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/C28H36N2O8S/c1-4-5-6-7-11-39-12-14-13-9-8-10-15(31)16(13)22(32)18-17(14)23(33)20-21(30(2)3)24(34)19(27(29)37)26(36)28(20,38)25(18)35/h8-10,14,17-21,23,31,33,38H,4-7,11-12H2,1-3H3,(H2,29,37)/t14-,17?,18?,19?,20?,21-,23-,28-/m0/s1
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n/an/a 4.70E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046506
PNG
(6-(3,4-Dichloro-benzylsulfanylmethyl)-4-dimethylam...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCc4ccc(Cl)c(Cl)c4)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C29H28Cl2N2O8S/c1-33(2)22-21-24(36)18-13(10-42-9-11-6-7-14(30)15(31)8-11)12-4-3-5-16(34)17(12)23(35)19(18)26(38)29(21,41)27(39)20(25(22)37)28(32)40/h3-8,13,18-22,24,34,36,41H,9-10H2,1-2H3,(H2,32,40)/t13-,18?,19?,20?,21?,22-,24-,29-/m0/s1
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n/an/a 5.20E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046505
PNG
(6-(2,3-Dihydroxy-propylsulfanylmethyl)-4-dimethyla...)
Show SMILES CN(C)[C@H]1C2[C@@H](O)C3[C@@H](CSCC(O)CO)c4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C25H30N2O10S/c1-27(2)18-17-20(32)14-11(8-38-7-9(29)6-28)10-4-3-5-12(30)13(10)19(31)15(14)22(34)25(17,37)23(35)16(21(18)33)24(26)36/h3-5,9,11,14-18,20,28-30,32,37H,6-8H2,1-2H3,(H2,26,36)/t9?,11-,14?,15?,16?,17?,18-,20-,25-/m0/s1
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n/an/a 5.70E+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)

More data for this
Ligand-Target Pair
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
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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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046511
PNG
(4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-methy...)
Show SMILES CSC[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/C23H26N2O8S/c1-25(2)16-15-18(28)12-9(7-34-3)8-5-4-6-10(26)11(8)17(27)13(12)20(30)23(15,33)21(31)14(19(16)29)22(24)32/h4-6,9,12-16,18,26,28,33H,7H2,1-3H3,(H2,24,32)/t9-,12?,13?,14?,15?,16-,18-,23-/m0/s1
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n/an/a 7.90E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50046513
PNG
(6-Decylsulfanylmethyl-4-dimethylamino-3,5,10,12,12...)
Show SMILES CCCCCCCCCCSC[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/C32H44N2O8S/c1-4-5-6-7-8-9-10-11-15-43-16-18-17-13-12-14-19(35)20(17)26(36)22-21(18)27(37)24-25(34(2)3)28(38)23(31(33)41)30(40)32(24,42)29(22)39/h12-14,18,21-25,27,35,37,42H,4-11,15-16H2,1-3H3,(H2,33,41)/t18-,21?,22?,23?,24?,25-,27-,32-/m0/s1
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n/an/a 1.12E+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)

More data for this
Ligand-Target Pair
Multidrug translocase mdfA


(Escherichia coli (strain K12))
BDBM50368781
PNG
(Achromycin | Cyclopar | Liquamycin | Panmycin | TE...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,13?,14?,15-,21+,22-/m0/s1
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n/an/a 1.32E+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)

More data for this
Ligand-Target Pair
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
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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)

More data for this
Ligand-Target Pair