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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'nasr' and Initial = 'r'   
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
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202456
PNG
(CHEMBL3974624)
Show SMILES COc1ccc2n(CC3CCCCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
UniProtKB/SwissProt

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n/an/a 4.10E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202441
PNG
(CHEMBL3263914)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(C)c12
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n/an/a 4.50E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202445
PNG
(CHEMBL3921707)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
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n/an/a 4.50E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202442
PNG
(CHEMBL3263916)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(C)ccc12
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n/an/a 4.80E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202454
PNG
(CHEMBL3263915)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(OC)c12
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n/an/a 6.30E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202446
PNG
(CHEMBL3964042)
Show SMILES COc1ccc2n(Cc3cccc(Br)c3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
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n/an/a 7.30E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202451
PNG
(CHEMBL3945493)
Show SMILES CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc12
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n/an/a 8.20E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202452
PNG
(CHEMBL3263569)
Show SMILES CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12
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n/an/a 9.00E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202453
PNG
(CHEMBL3263906)
Show SMILES Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccccc34)C(=O)c2c(O)c1
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n/an/a 1.05E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202459
PNG
(CHEMBL3263904)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1cc(\[#6]=[#6]-2/[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c2ccccc12
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n/an/a 1.06E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202458
PNG
(CHEMBL3263570)
Show SMILES Cn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12
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n/an/a 1.11E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202448
PNG
(CHEMBL3263913)
Show SMILES CCCCn1c(C)c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
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n/an/a 1.14E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202450
PNG
(CHEMBL3263907)
Show SMILES Oc1cc2O\C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)c2c(O)c1
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n/an/a 1.22E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202447
PNG
(CHEMBL3259861)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(OC)ccc12
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n/an/a 1.39E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202449
PNG
(CHEMBL3263910)
Show SMILES Oc1cc2O\C(=C/c3cn(Cc4cccc(Br)c4)c4ccccc34)C(=O)c2c(O)c1
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n/an/a 1.44E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202444
PNG
(CHEMBL3948408)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
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n/an/a 1.54E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202443
PNG
(CHEMBL3928271)
Show SMILES Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccc(Br)cc34)C(=O)c2c(O)c1
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n/an/a 1.58E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202457
PNG
(CHEMBL3263909)
Show SMILES COc1cccc(Cn2cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c3ccccc23)c1
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n/an/a 1.75E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202455
PNG
(CHEMBL3914655)
Show SMILES CCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
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n/an/a 1.78E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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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MMDB
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n/an/a 2.00E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin)


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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 2.56E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair