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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'goracci' and Initial = 'l'   
Target/Host
(Institution)		LigandTarget/Host
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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50197953
PNG
(CHEMBL3980643)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C109H160N26O31S5/c1-12-56(9)87(108(165)119-69(89(112)146)39-60-43-114-65-24-18-17-23-63(60)65)135-109(166)88(57(10)13-2)134-100(157)76(42-85(144)145)125-95(152)71(36-54(5)6)120-98(155)74(40-61-44-113-52-115-61)123-104(161)80-49-169-168-48-64(111)90(147)127-77(45-136)103(160)132-81-50-170-171-51-82(106(163)133-86(55(7)8)107(164)126-73(38-59-26-28-62(139)29-27-59)96(153)122-72(97(154)131-80)37-58-21-15-14-16-22-58)130-92(149)67(30-31-83(140)141)117-91(148)66(25-19-20-33-110)116-99(156)75(41-84(142)143)124-93(150)68(32-34-167-11)118-94(151)70(35-53(3)4)121-101(158)78(46-137)128-102(159)79(47-138)129-105(81)162/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,114,136-139H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H2,112,146)(H,113,115)(H,116,156)(H,117,148)(H,118,151)(H,119,165)(H,120,155)(H,121,158)(H,122,153)(H,123,161)(H,124,150)(H,125,152)(H,126,164)(H,127,147)(H,128,159)(H,129,162)(H,130,149)(H,131,154)(H,132,160)(H,133,163)(H,134,157)(H,135,166)(H,140,141)(H,142,143)(H,144,145)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant ETB receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization by fluorimetric method

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50197955
PNG
(CHEMBL1515091)
Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O
Show InChI InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/p-1/t21-,22+,25-,26-,27+/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Antagonist activity at ETB receptor in human BSMC assessed as inhibition of endothelin-1 or 3-mediated Ca2+ mobilization preincubated for 5 mins foll...

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50197954
PNG
(CHEBI:2965 | CHEMBL314691)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Antagonist activity at ETA receptor in human SKNMC cells assessed as inhibition of endothelin-1-mediated Ca2+ mobilization by fura-2/AM dye-based spe...

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50197953
PNG
(CHEMBL3980643)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C109H160N26O31S5/c1-12-56(9)87(108(165)119-69(89(112)146)39-60-43-114-65-24-18-17-23-63(60)65)135-109(166)88(57(10)13-2)134-100(157)76(42-85(144)145)125-95(152)71(36-54(5)6)120-98(155)74(40-61-44-113-52-115-61)123-104(161)80-49-169-168-48-64(111)90(147)127-77(45-136)103(160)132-81-50-170-171-51-82(106(163)133-86(55(7)8)107(164)126-73(38-59-26-28-62(139)29-27-59)96(153)122-72(97(154)131-80)37-58-21-15-14-16-22-58)130-92(149)67(30-31-83(140)141)117-91(148)66(25-19-20-33-110)116-99(156)75(41-84(142)143)124-93(150)68(32-34-167-11)118-94(151)70(35-53(3)4)121-101(158)78(46-137)128-102(159)79(47-138)129-105(81)162/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,114,136-139H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H2,112,146)(H,113,115)(H,116,156)(H,117,148)(H,118,151)(H,119,165)(H,120,155)(H,121,158)(H,122,153)(H,123,161)(H,124,150)(H,125,152)(H,126,164)(H,127,147)(H,128,159)(H,129,162)(H,130,149)(H,131,154)(H,132,160)(H,133,163)(H,134,157)(H,135,166)(H,140,141)(H,142,143)(H,144,145)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Agonist activity at ETA receptor in human SKNMC cells assessed as induction of Ca2+ mobilization by fluorimetric method

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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n/an/a 4.70n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to human ETA receptor

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50197957
PNG
(CHEMBL3891334)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(F)(C(F)(F)F)C(F)(F)F)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C26H20F7N5O6S/c1-42-17-5-2-3-6-18(17)44-19-20(36-22(21-34-11-4-12-35-21)37-23(19)43-14-13-39)38-45(40,41)16-9-7-15(8-10-16)24(27,25(28,29)30)26(31,32)33/h2-12,39H,13-14H2,1H3,(H,36,37,38)
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n/an/a 75n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Agonist activity at ETA receptor in human SKNMC cells assessed as induction of Ca2+ mobilization by fluorimetric method

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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n/an/a 95n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to human ETB receptor

Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis

J Med Chem 54: 1740-51 (2011)


Article DOI: 10.1021/jm101421d
BindingDB Entry DOI: 10.7270/Q2C53M5K
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 780n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis

J Med Chem 54: 1740-51 (2011)


Article DOI: 10.1021/jm101421d
BindingDB Entry DOI: 10.7270/Q2C53M5K
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM22873
PNG
(1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piper...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis

J Med Chem 54: 1740-51 (2011)


Article DOI: 10.1021/jm101421d
BindingDB Entry DOI: 10.7270/Q2C53M5K
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50211232
PNG
(CHEMBL3929187)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C37H38N6O5/c1-4-46-36(44)35-26(2)42(25-27-12-7-5-8-13-27)32-18-17-30(23-31(32)35)47-21-11-20-38-24-28-16-19-33(34(22-28)45-3)48-37-39-40-41-43(37)29-14-9-6-10-15-29/h5-10,12-19,22-23,38H,4,11,20-21,24-25H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50211228
PNG
(CHEMBL3956740)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C38H40N6O5/c1-4-47-37(45)36-27(2)43(26-28-13-7-5-8-14-28)33-19-18-31(24-32(33)36)48-22-12-11-21-39-25-29-17-20-34(35(23-29)46-3)49-38-40-41-42-44(38)30-15-9-6-10-16-30/h5-10,13-20,23-24,39H,4,11-12,21-22,25-26H2,1-3H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50211230
PNG
(CHEMBL3948087)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(F)c(OC)c3)cc12
Show InChI InChI=1S/C30H33FN2O4/c1-4-36-30(34)29-21(2)33(20-22-9-6-5-7-10-22)27-14-12-24(18-25(27)29)37-16-8-15-32-19-23-11-13-26(31)28(17-23)35-3/h5-7,9-14,17-18,32H,4,8,15-16,19-20H2,1-3H3
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n/an/a 3.83E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153269
PNG
(CHEMBL3775575)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(c2)[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-9-7-10-22(17-21)30(32)33)25-12-11-23(18-24(25)26)35-16-8-15-28-13-5-4-6-14-28/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153186
PNG
(CHEMBL3774520)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2F)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-10-5-6-11-24(21)28)25-13-12-22(18-23(25)26)33-17-9-16-29-14-7-4-8-15-29/h5-6,10-13,18H,3-4,7-9,14-17,19H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153316
PNG
(CHEMBL3775207)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2C)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-12-7-6-11-21(23)2)26-14-13-24(19-25(26)27)33-18-10-17-29-15-8-5-9-16-29/h6-7,11-14,19H,4-5,8-10,15-18,20H2,1-3H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50211229
PNG
(CHEMBL3955315)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C37H38N6O6/c1-4-47-36(45)35-25(2)42(23-26-11-7-5-8-12-26)32-17-16-30(20-31(32)35)48-24-29(44)22-38-21-27-15-18-33(34(19-27)46-3)49-37-39-40-41-43(37)28-13-9-6-10-14-28/h5-20,29,38,44H,4,21-24H2,1-3H3
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n/an/a 4.93E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153183
PNG
(CHEMBL3774548)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2OC)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-11-6-7-12-26(22)32-3)25-14-13-23(19-24(25)27)34-18-10-17-29-15-8-5-9-16-29/h6-7,11-14,19H,4-5,8-10,15-18,20H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153314
PNG
(CHEMBL3774689)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(F)CN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(17-21-10-6-4-7-11-21)25-13-12-23(16-24(25)26)33-19-22(28)18-29-14-8-5-9-15-29/h4,6-7,10-13,16,22H,3,5,8-9,14-15,17-19H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153284
PNG
(CHEMBL3775852)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O4/c1-3-32-27(31)26-20(2)29(17-21-10-6-4-7-11-21)25-13-12-23(16-24(25)26)33-19-22(30)18-28-14-8-5-9-15-28/h4,6-7,10-13,16,22,30H,3,5,8-9,14-15,17-19H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153278
PNG
(CHEMBL3775105)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-21(2)29(20-22-11-6-4-7-12-22)25-14-13-23(19-24(25)26)32-18-10-17-28-15-8-5-9-16-28/h4,6-7,11-14,19H,3,5,8-10,15-18,20H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153278
PNG
(CHEMBL3775105)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-21(2)29(20-22-11-6-4-7-12-22)25-14-13-23(19-24(25)26)32-18-10-17-28-15-8-5-9-16-28/h4,6-7,11-14,19H,3,5,8-10,15-18,20H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153317
PNG
(CHEMBL3774886)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(C)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-11-8-10-21(2)18-23)26-13-12-24(19-25(26)27)33-17-9-16-29-14-6-5-7-15-29/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153271
PNG
(CHEMBL3774968)
Show SMILES CCOC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C29H38N2O3/c1-3-33-29(32)21-26-23(2)31(22-24-12-7-6-8-13-24)28-15-14-25(20-27(26)28)34-19-11-18-30-16-9-4-5-10-17-30/h6-8,12-15,20H,3-5,9-11,16-19,21-22H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153187
PNG
(CHEMBL3775401)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(F)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-9-7-10-22(28)17-21)25-12-11-23(18-24(25)26)33-16-8-15-29-13-5-4-6-14-29/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153268
PNG
(CHEMBL3775173)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-10-5-6-11-24(21)30(32)33)25-13-12-22(18-23(25)26)35-17-9-16-28-14-7-4-8-15-28/h5-6,10-13,18H,3-4,7-9,14-17,19H2,1-2H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153270
PNG
(CHEMBL3775819)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-8-10-22(11-9-21)30(32)33)25-13-12-23(18-24(25)26)35-17-7-16-28-14-5-4-6-15-28/h8-13,18H,3-7,14-17,19H2,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis

J Med Chem 54: 1740-51 (2011)


Article DOI: 10.1021/jm101421d
BindingDB Entry DOI: 10.7270/Q2C53M5K
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153272
PNG
(CHEMBL3775722)
Show SMILES Cc1cc2cc(OCCCN3CCCCC3)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-20-17-22-18-23(27-16-8-15-25-13-6-3-7-14-25)11-12-24(22)26(20)19-21-9-4-2-5-10-21/h2,4-5,9-12,17-18H,3,6-8,13-16,19H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153283
PNG
(CHEMBL3774445)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCN)cc12
Show InChI InChI=1S/C23H28N2O3/c1-3-27-23(26)22-17(2)25(16-18-9-5-4-6-10-18)21-12-11-19(15-20(21)22)28-14-8-7-13-24/h4-6,9-12,15H,3,7-8,13-14,16,24H2,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153182
PNG
(CHEMBL3775053)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(C)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-11-9-21(2)10-12-23)26-14-13-24(19-25(26)27)33-18-8-17-29-15-6-5-7-16-29/h9-14,19H,4-8,15-18,20H2,1-3H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153285
PNG
(CHEMBL3774995)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3CCCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-3-33-28(32)27-21(2)30(18-22-11-7-6-8-12-22)26-14-13-24(17-25(26)27)34-20-23(31)19-29-15-9-4-5-10-16-29/h6-8,11-14,17,23,31H,3-5,9-10,15-16,18-20H2,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153185
PNG
(CHEMBL3775726)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-9-11-23(32-3)12-10-22)26-14-13-24(19-25(26)27)34-18-8-17-29-15-6-5-7-16-29/h9-14,19H,4-8,15-18,20H2,1-3H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153184
PNG
(CHEMBL3774891)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(OC)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-10-8-11-23(18-22)32-3)26-13-12-24(19-25(26)27)34-17-9-16-29-14-6-5-7-15-29/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153192
PNG
(CHEMBL3775789)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(F)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-8-10-22(28)11-9-21)25-13-12-23(18-24(25)26)33-17-7-16-29-14-5-4-6-15-29/h8-13,18H,3-7,14-17,19H2,1-2H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153277
PNG
(CHEMBL3774527)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc12
Show InChI InChI=1S/C26H33N3O3/c1-4-31-26(30)25-20(2)29(19-21-8-6-5-7-9-21)24-11-10-22(18-23(24)25)32-17-16-28-14-12-27(3)13-15-28/h5-11,18H,4,12-17,19H2,1-3H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153288
PNG
(CHEMBL3775693)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(N)CO)cc12
Show InChI InChI=1S/C22H26N2O4/c1-3-27-22(26)21-15(2)24(12-16-7-5-4-6-8-16)20-10-9-18(11-19(20)21)28-14-17(23)13-25/h4-11,17,25H,3,12-14,23H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153279
PNG
(CHEMBL3775483)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCOCC3)cc12
Show InChI InChI=1S/C26H32N2O4/c1-3-31-26(29)25-20(2)28(19-21-8-5-4-6-9-21)24-11-10-22(18-23(24)25)32-15-7-12-27-13-16-30-17-14-27/h4-6,8-11,18H,3,7,12-17,19H2,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153274
PNG
(CHEMBL3775322)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C26H32N2O3/c1-3-30-26(29)25-20(2)28(19-21-10-6-4-7-11-21)24-13-12-22(18-23(24)25)31-17-16-27-14-8-5-9-15-27/h4,6-7,10-13,18H,3,5,8-9,14-17,19H2,1-2H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153280
PNG
(CHEMBL3774675)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCN(C)CC3)cc12
Show InChI InChI=1S/C27H35N3O3/c1-4-32-27(31)26-21(2)30(20-22-9-6-5-7-10-22)25-12-11-23(19-24(25)26)33-18-8-13-29-16-14-28(3)15-17-29/h5-7,9-12,19H,4,8,13-18,20H2,1-3H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153281
PNG
(CHEMBL3775062)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCNCC3)cc12
Show InChI InChI=1S/C26H33N3O3/c1-3-31-26(30)25-20(2)29(19-21-8-5-4-6-9-21)24-11-10-22(18-23(24)25)32-17-7-14-28-15-12-27-13-16-28/h4-6,8-11,18,27H,3,7,12-17,19H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153282
PNG
(CHEMBL3775841)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN)cc12
Show InChI InChI=1S/C22H26N2O3/c1-3-26-22(25)21-16(2)24(15-17-8-5-4-6-9-17)20-11-10-18(14-19(20)21)27-13-7-12-23/h4-6,8-11,14H,3,7,12-13,15,23H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153282
PNG
(CHEMBL3775841)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN)cc12
Show InChI InChI=1S/C22H26N2O3/c1-3-26-22(25)21-16(2)24(15-17-8-5-4-6-9-17)20-11-10-18(14-19(20)21)27-13-7-12-23/h4-6,8-11,14H,3,7,12-13,15,23H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153315
PNG
(CHEMBL3774582)
Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-3-32-28(31)27-22(2)30(19-15-23-11-6-4-7-12-23)26-14-13-24(21-25(26)27)33-20-10-18-29-16-8-5-9-17-29/h4,6-7,11-14,21H,3,5,8-10,15-20H2,1-2H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153249
PNG
(CHEMBL3775871)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(F)(F)F)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H33F3N2O3/c1-3-35-27(34)26-20(2)33(19-21-8-10-22(11-9-21)28(29,30)31)25-13-12-23(18-24(25)26)36-17-7-16-32-14-5-4-6-15-32/h8-13,18H,3-7,14-17,19H2,1-2H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153247
PNG
(CHEMBL3775857)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(c2)C(F)(F)F)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H33F3N2O3/c1-3-35-27(34)26-20(2)33(19-21-9-7-10-22(17-21)28(29,30)31)25-12-11-23(18-24(25)26)36-16-8-15-32-13-5-4-6-14-32/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153276
PNG
(CHEMBL3775445)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCNCC3)cc12
Show InChI InChI=1S/C25H31N3O3/c1-3-30-25(29)24-19(2)28(18-20-7-5-4-6-8-20)23-10-9-21(17-22(23)24)31-16-15-27-13-11-26-12-14-27/h4-10,17,26H,3,11-16,18H2,1-2H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153275
PNG
(CHEMBL3775842)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCOCC3)cc12
Show InChI InChI=1S/C25H30N2O4/c1-3-30-25(28)24-19(2)27(18-20-7-5-4-6-8-20)23-10-9-21(17-22(23)24)31-16-13-26-11-14-29-15-12-26/h4-10,17H,3,11-16,18H2,1-2H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153286
PNG
(CHEMBL3775271)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12
Show InChI InChI=1S/C26H32N2O5/c1-3-32-26(30)25-19(2)28(16-20-7-5-4-6-8-20)24-10-9-22(15-23(24)25)33-18-21(29)17-27-11-13-31-14-12-27/h4-10,15,21,29H,3,11-14,16-18H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)		BDBM50153287
PNG
(CHEMBL3775507)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN)cc12
Show InChI InChI=1S/C22H26N2O4/c1-3-27-22(26)21-15(2)24(13-16-7-5-4-6-8-16)20-10-9-18(11-19(20)21)28-14-17(25)12-23/h4-11,17,25H,3,12-14,23H2,1-2H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...

J Med Chem 59: 867-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01219
BindingDB Entry DOI: 10.7270/Q28W3G57
More data for this
Ligand-Target Pair
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