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PubChem AID 844

Compile Data Set for Download or QSAR

Found 803 hits of Enzyme Inhibition Constant Data   
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 protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44567
PNG
(3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-d...)
Show SMILES CCCCCCC1CC(CSc2nnc[nH]2)OC1=O
Show InChI InChI=1S/C13H21N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h9-11H,2-8H2,1H3,(H,14,15,16)
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n/an/an/an/a 6.14E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44575
PNG
(MLS000071908 | N-(3-Chloro-phenyl)-2-[5-(4-methoxy...)
Show SMILES COc1ccc(cc1)-c1nnc(SC(C)C(=O)Nc2cccc(Cl)c2)o1
Show InChI InChI=1S/C18H16ClN3O3S/c1-11(16(23)20-14-5-3-4-13(19)10-14)26-18-22-21-17(25-18)12-6-8-15(24-2)9-7-12/h3-11H,1-2H3,(H,20,23)
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n/an/an/an/a 4.00E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44577
PNG
(MLS000028538 | MLS000088404 | N-cyclohexyl-N-ethyl...)
Show SMILES CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
Show InChI InChI=1S/C16H25NO3S/c1-4-17(14-8-6-5-7-9-14)21(18,19)16-12-13(2)10-11-15(16)20-3/h10-12,14H,4-9H2,1-3H3
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n/an/an/an/a 3.33E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44578
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-4-methyl-piper...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C10H14BrNO2S2/c1-8-4-6-12(7-5-8)16(13,14)10-3-2-9(11)15-10/h2-3,8H,4-7H2,1H3
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n/an/an/an/a 3.52E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44580
PNG
(8-keto-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-...)
Show SMILES O=C1CCCN2C(C=Cc3ccccc23)=C1C#N
Show InChI InChI=1S/C15H12N2O/c16-10-12-14-8-7-11-4-1-2-5-13(11)17(14)9-3-6-15(12)18/h1-2,4-5,7-8H,3,6,9H2
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n/an/an/an/a 6.90E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44583
PNG
(1,3-bis(methylsulfanyl)-1-sulfanylidene-6,7-dihydr...)
Show SMILES CSC1=NP(=S)(SC)N2CCCC2=C1C#N
Show InChI InChI=1S/C9H12N3PS3/c1-15-9-7(6-10)8-4-3-5-12(8)13(14,11-9)16-2/h3-5H2,1-2H3
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n/an/an/an/a 5.24E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44594
PNG
(2-[(4-bromanylphenoxy)methyl]-5-pyrrolidin-1-yl-1,...)
Show SMILES Brc1ccc(OCc2nc(C#N)c(o2)N2CCCC2)cc1
Show InChI InChI=1S/C15H14BrN3O2/c16-11-3-5-12(6-4-11)20-10-14-18-13(9-17)15(21-14)19-7-1-2-8-19/h3-6H,1-2,7-8,10H2
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n/an/an/an/a 6.80E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44596
PNG
(2-[(4-bromanylphenoxy)methyl]-5-(2-morpholin-4-yle...)
Show SMILES Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
Show InChI InChI=1S/C17H19BrN4O3/c18-13-1-3-14(4-2-13)24-12-16-21-15(11-19)17(25-16)20-5-6-22-7-9-23-10-8-22/h1-4,20H,5-10,12H2
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n/an/an/an/a 4.50E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44608
PNG
(MLS000082806 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4...)
Show SMILES CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
Show InChI InChI=1S/C21H29N5O3S/c1-3-19-23-24-21(30-19)22-18(27)8-9-20(28)26-12-10-25(11-13-26)14-15-29-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H,22,24,27)
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n/an/an/an/a 6.71E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44617
PNG
(3-amino-6-(2-furanyl)-N-(2-methoxyphenyl)-2-thieno...)
Show SMILES COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
Show InChI InChI=1S/C19H15N3O3S/c1-24-14-6-3-2-5-12(14)21-18(23)17-16(20)11-8-9-13(22-19(11)26-17)15-7-4-10-25-15/h2-10H,20H2,1H3,(H,21,23)
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n/an/an/an/a 4.61E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44621
PNG
((1S,3R,3aR,6aS)-5-(4-fluorophenyl)-1-(4-hydroxyben...)
Show SMILES Oc1c2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc34)c2c(O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN3O4/c27-15-7-9-16(10-8-15)30-23(32)21-20(13-14-5-11-17(31)12-6-14)29-26(22(21)24(30)33)18-3-1-2-4-19(18)28-25(26)34/h1-12,20,29,31-33H,13H2,(H,28,34)/t20-,26-/m0/s1
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n/an/an/an/a 7.88E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44622
PNG
(2-(4-benzylpiperazin-1-yl)-7-(furan-2-yl)-4-methyl...)
Show SMILES Cc1nc(nc2CC(CC(=O)c12)c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-23-20(14-19(15-21(23)29)22-8-5-13-30-22)26-24(25-17)28-11-9-27(10-12-28)16-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-16H2,1H3
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n/an/an/an/a 4.04E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44627
PNG
(MLS000055885 | N,N,1-triethyl-2-[(4-keto-1,2,3-ben...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2n(CC)c(SCn3nnc4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C21H24N6O3S2/c1-4-25(5-2)32(29,30)15-11-12-19-18(13-15)22-21(26(19)6-3)31-14-27-20(28)16-9-7-8-10-17(16)23-24-27/h7-13H,4-6,14H2,1-3H3
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n/an/an/an/a 2.79E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44628
PNG
(MLS000057683 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1...)
Show SMILES CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1
Show InChI InChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)13-5-4-10-20(13)25(22,23)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,17,19,21)
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n/an/an/an/a 5.60E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44631
PNG
(5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-[(2,2...)
Show SMILES FC1(F)Oc2ccc(NC(=O)COC(=O)C3CC4CC3C=C4)cc2O1
Show InChI InChI=1S/C17H15F2NO5/c18-17(19)24-13-4-3-11(7-14(13)25-17)20-15(21)8-23-16(22)12-6-9-1-2-10(12)5-9/h1-4,7,9-10,12H,5-6,8H2,(H,20,21)
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n/an/an/an/a 6.54E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44644
PNG
(1-keto-2-nicotinamido-isoquinoline-4-carboxylic ac...)
Show SMILES COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12
Show InChI InChI=1S/C17H13N3O4/c1-24-17(23)14-10-20(16(22)13-7-3-2-6-12(13)14)19-15(21)11-5-4-8-18-9-11/h2-10H,1H3,(H,19,21)
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n/an/an/an/a 2.79E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44645
PNG
(5-(2,5-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-methy...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
Show InChI InChI=1S/C25H26N4O4/c1-15-8-6-7-9-18(15)14-29-17(3)24(16(2)27-29)26-25(30)21-13-23(33-28-21)20-12-19(31-4)10-11-22(20)32-5/h6-13H,14H2,1-5H3,(H,26,30)
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n/an/an/an/a 3.49E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44649
PNG
(2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methan...)
Show SMILES CCc1nnc(NC(=O)C(C)N2C(=O)C3C4CC(C=C4)C3C2=O)s1
Show InChI InChI=1S/C16H18N4O3S/c1-3-10-18-19-16(24-10)17-13(21)7(2)20-14(22)11-8-4-5-9(6-8)12(11)15(20)23/h4-5,7-9,11-12H,3,6H2,1-2H3,(H,17,19,21)
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n/an/an/an/a 5.44E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44652
PNG
(MLS000093060 | N-(2-chlorobenzyl)-1-({5-[(E)-2-(di...)
Show SMILES CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H27ClN4O4S/c1-15-20(19(30-24-15)10-12-25(2)3)31(28,29)26-11-6-8-17(14-26)21(27)23-13-16-7-4-5-9-18(16)22/h4-5,7,9-10,12,17H,6,8,11,13-14H2,1-3H3,(H,23,27)/b12-10+
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n/an/an/an/a 4.42E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44670
PNG
(6-(4-chlorobenzyl)-3-(2,4-dimethoxyanilino)-2H-1,2...)
Show SMILES COc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(OC)c1
Show InChI InChI=1S/C18H17ClN4O3/c1-25-13-7-8-14(16(10-13)26-2)20-18-21-17(24)15(22-23-18)9-11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3,(H2,20,21,23,24)
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n/an/an/an/a 4.93E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44671
PNG
(MLS000062223 | N-(1,3-benzodioxol-5-yl)-5-chlorany...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C15H12ClNO4/c1-19-12-4-2-9(16)6-11(12)15(18)17-10-3-5-13-14(7-10)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
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n/an/an/an/a 3.57E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44672
PNG
(1-(4-fluorophenyl)-3-[4-(2-keto-3H-benzimidazol-1-...)
Show SMILES Oc1cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c(O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN4O3/c23-14-5-7-15(8-6-14)27-20(28)13-19(21(27)29)25-11-9-16(10-12-25)26-18-4-2-1-3-17(18)24-22(26)30/h1-8,13,16,28-29H,9-12H2,(H,24,30)
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n/an/an/an/a 7.59E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44675
PNG
(1-allyl-3-(4-chlorophenyl)-1-[2,5-diketo-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(N(CC=C)C(=O)Nc2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C21H20ClN3O4/c1-3-12-24(21(28)23-15-6-4-14(22)5-7-15)18-13-19(26)25(20(18)27)16-8-10-17(29-2)11-9-16/h3-11,13,26-27H,1,12H2,2H3,(H,23,28)
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n/an/an/an/a 4.85E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44677
PNG
(MLS000063204 | N-(5-benzyl-1,3,4-thiadiazol-2-yl)m...)
Show SMILES CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C10H11N3O2S2/c1-17(14,15)13-10-12-11-9(16-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
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n/an/an/an/a 4.04E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44681
PNG
(5-(ethylamino)-2-(1-naphthalenyl)-4-oxazolecarboni...)
Show SMILES CCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3
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n/an/an/an/a 3.68E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44684
PNG
(4-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-...)
Show SMILES COC(=O)c1ccc(COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc1
Show InChI InChI=1S/C20H20O6/c1-20(2)10-16(22)18-15(21)8-14(9-17(18)26-20)25-11-12-4-6-13(7-5-12)19(23)24-3/h4-9,21H,10-11H2,1-3H3
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n/an/an/an/a 5.56E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM32113
PNG
((1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl) 2...)
Show SMILES Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
Show InChI InChI=1S/C17H14O4/c18-14-8-4-3-7-13(14)17(20)21-15-10-9-11-5-1-2-6-12(11)16(15)19/h1-8,15,18H,9-10H2
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n/an/an/an/a 3.73E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44686
PNG
(3-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C13H8F3N3O2S/c1-6-7-4-2-3-5-8(7)21-9(6)10(20)17-12-19-18-11(22-12)13(14,15)16/h2-5H,1H3,(H,17,19,20)
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n/an/an/an/a 1.10E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44689
PNG
(3-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-...)
Show SMILES Cc1ccc(NC(=O)CCSc2nnnn2-c2ccc3OCOc3c2)cc1C
Show InChI InChI=1S/C19H19N5O3S/c1-12-3-4-14(9-13(12)2)20-18(25)7-8-28-19-21-22-23-24(19)15-5-6-16-17(10-15)27-11-26-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,25)
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n/an/an/an/a 3.98E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM43247
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
Show InChI InChI=1S/C17H13N5O3S/c1-10-7-13(22-25-10)19-14(23)9-26-17-20-15(11-5-3-2-4-6-11)12(8-18)16(24)21-17/h2-7H,9H2,1H3,(H,19,22,23)(H,20,21,24)
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n/an/an/an/a 8.14E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44696
PNG
(2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-...)
Show SMILES CCC(Oc1ccccc1)C(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2S/c1-2-9(21-8-6-4-3-5-7-8)10(20)17-12-19-18-11(22-12)13(14,15)16/h3-7,9H,2H2,1H3,(H,17,19,20)
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n/an/an/an/a 9.10E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM38462
PNG
(5-chloranyl-2-methylsulfanyl-N-(5-methylsulfanyl-1...)
Show SMILES CSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1
Show InChI InChI=1S/C9H8ClN5OS3/c1-17-7-11-3-4(10)5(12-7)6(16)13-8-14-15-9(18-2)19-8/h3H,1-2H3,(H,13,14,16)
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n/an/an/an/a 6.07E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44698
PNG
(2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluo...)
Show SMILES Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O
Show InChI InChI=1S/C16H13FN4O2S/c17-11-6-2-4-8-13(11)19-14(22)9-24-16-20-12-7-3-1-5-10(12)15(23)21(16)18/h1-8H,9,18H2,(H,19,22)
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n/an/an/an/a 7.60E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44708
PNG
(MLS000118845 | N-(4-ethylphenyl)-2-(2-keto-6-morph...)
Show SMILES CCc1ccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C21H23N3O6S/c1-2-15-3-5-16(6-4-15)22-20(25)14-24-18-8-7-17(13-19(18)30-21(24)26)31(27,28)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
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n/an/an/an/a 5.40E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44709
PNG
(MLS000118822 | SMR000095762 | [1-[5-[(E)-2-(dimeth...)
Show SMILES CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H30N4O4S/c1-15-18(17(27-20-15)9-13-21(2)3)28(25,26)23-12-7-8-16(14-23)19(24)22-10-5-4-6-11-22/h9,13,16H,4-8,10-12,14H2,1-3H3/b13-9+
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n/an/an/an/a 3.98E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44715
PNG
(2-[(4-methoxyphenoxy)methyl]-5-[4-(4-methoxyphenyl...)
Show SMILES COc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H24N4O4/c1-28-18-5-3-17(4-6-18)26-11-13-27(14-12-26)23-21(15-24)25-22(31-23)16-30-20-9-7-19(29-2)8-10-20/h3-10H,11-14,16H2,1-2H3
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n/an/an/an/a 4.08E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44719
PNG
(5-(4-ethylphenyl)-7-(2-methylphenyl)-1,5,6,7-tetra...)
Show SMILES CCc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1
Show InChI InChI=1S/C20H23N5/c1-3-14-8-10-15(11-9-14)17-12-18(16-7-5-4-6-13(16)2)25-20(22-17)23-19(21)24-25/h4-11,17-18H,3,12H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 3.07E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44724
PNG
(1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazo...)
Show SMILES CC1CCCCC1NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1\C=C\N(C)C
Show InChI InChI=1S/C21H34N4O4S/c1-15-8-5-6-10-18(15)22-21(26)17-9-7-12-25(14-17)30(27,28)20-16(2)23-29-19(20)11-13-24(3)4/h11,13,15,17-18H,5-10,12,14H2,1-4H3,(H,22,26)/b13-11+
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n/an/an/an/a 4.98E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44726
PNG
(2-[(4-methylphenoxy)methyl]-5-(prop-2-enylamino)-1...)
Show SMILES Cc1ccc(OCc2nc(C#N)c(NCC=C)o2)cc1
Show InChI InChI=1S/C15H15N3O2/c1-3-8-17-15-13(9-16)18-14(20-15)10-19-12-6-4-11(2)5-7-12/h3-7,17H,1,8,10H2,2H3
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n/an/an/an/a 3.59E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM41416
PNG
(MLS000116424 | N-[3,5-dimethyl-1-(2-methylbenzyl)p...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C25H24N4O2/c1-15-8-4-5-10-19(15)14-29-17(3)22(16(2)27-29)26-25(30)23-21-13-12-18-9-6-7-11-20(18)24(21)31-28-23/h4-11H,12-14H2,1-3H3,(H,26,30)
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n/an/an/an/a 1.06E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM39562
PNG
(MLS000114309 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-...)
Show SMILES O=C(CSc1nnc[nH]1)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C12H10N6OS2/c19-9(6-20-11-13-7-14-17-11)15-12-18-16-10(21-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,17)(H,15,18,19)
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n/an/an/an/a 3.12E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44741
PNG
(2-(5-chloro-2-methoxy-phenyl)-3-(3,4-difluoropheny...)
Show SMILES COc1ccc(Cl)cc1N1C(N2CCCC2C1=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H17ClF2N2O2/c1-26-17-7-5-12(20)10-16(17)24-18(11-4-6-13(21)14(22)9-11)23-8-2-3-15(23)19(24)25/h4-7,9-10,15,18H,2-3,8H2,1H3
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n/an/an/an/a 4.61E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44749
PNG
(5-Methyl-3-phenyl-isoxazole-4-carboxylic acid [5-(...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC
Show InChI InChI=1S/C22H20N4O4S/c1-13-19(20(26-30-13)15-7-5-4-6-8-15)21(27)23-22-25-24-18(31-22)12-14-9-10-16(28-2)17(11-14)29-3/h4-11H,12H2,1-3H3,(H,23,25,27)
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n/an/an/an/a 2.79E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44756
PNG
(MLS000117086 | SMR000094040 | [2-[(4-fluorobenzyl)...)
Show SMILES Fc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H13FN2O2S/c16-12-5-3-11(4-6-12)10-21-15-17-7-8-18(15)14(19)13-2-1-9-20-13/h1-6,9H,7-8,10H2
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n/an/an/an/a 4.71E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44760
PNG
(2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,3...)
Show SMILES Clc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H16ClN3O3S/c20-13-2-1-3-15(10-13)23-7-6-21-19(23)27-12-18(24)22-14-4-5-16-17(11-14)26-9-8-25-16/h1-7,10-11H,8-9,12H2,(H,22,24)
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n/an/an/an/a 6.58E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44762
PNG
(5-[[4-(3-chlorophenyl)-1-piperazinyl]-thiophen-2-y...)
Show SMILES Oc1c(sc2ncnn12)C(N1CCN(CC1)c1cccc(Cl)c1)c1cccs1
Show InChI InChI=1S/C19H18ClN5OS2/c20-13-3-1-4-14(11-13)23-6-8-24(9-7-23)16(15-5-2-10-27-15)17-18(26)25-19(28-17)21-12-22-25/h1-5,10-12,16,26H,6-9H2
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n/an/an/an/a 3.68E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44766
PNG
(5-[[4-(2-fluorophenyl)-1-piperazinyl]-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C(N1CCN(CC1)c1ccccc1F)c1sc2ncnn2c1O
Show InChI InChI=1S/C24H26FN5O4S/c1-32-18-12-15(13-19(33-2)21(18)34-3)20(22-23(31)30-24(35-22)26-14-27-30)29-10-8-28(9-11-29)17-7-5-4-6-16(17)25/h4-7,12-14,20,31H,8-11H2,1-3H3
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n/an/an/an/a 4.37E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44782
PNG
(4-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin...)
Show SMILES Cc1nc(=O)c(c(C)n1-c1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)16-10-8-15(9-11-16)19(23)24/h3-11H,1-2H3,(H,23,24)
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n/an/an/an/a 7.02E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44785
PNG
(5-bromanyl-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)...)
Show SMILES Cc1cc2nc(oc2cc1C)-c1cccc(NC(=O)c2ccc(Br)o2)c1C
Show InChI InChI=1S/C21H17BrN2O3/c1-11-9-16-18(10-12(11)2)27-21(24-16)14-5-4-6-15(13(14)3)23-20(25)17-7-8-19(22)26-17/h4-10H,1-3H3,(H,23,25)
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n/an/an/an/a 5.56E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44792
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C19H17N5O3S/c1-3-14(18(26)21-15-9-11(2)27-24-15)28-19-22-16(12-7-5-4-6-8-12)13(10-20)17(25)23-19/h4-9,14H,3H2,1-2H3,(H,21,24,26)(H,22,23,25)
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n/an/an/an/a 8.41E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%