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PubChem AID 1534

Compile data set for download or QSAR
Found 54 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
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46564
PNG
(5-Amino-4-cyano-3-methyl-thiophene-2-carboxylic ac...)
Show SMILES COc1ccc2ccccc2c1C=NNC(=O)c1sc(N)c(C#N)c1C |w:13.15|
Show InChI InChI=1S/C19H16N4O2S/c1-11-14(9-20)18(21)26-17(11)19(24)23-22-10-15-13-6-4-3-5-12(13)7-8-16(15)25-2/h3-8,10H,21H2,1-2H3,(H,23,24)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50292542
PNG
((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...)
Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|
Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23-,27+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46555
PNG
(GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | a...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(2.16,17.15,;3.49,16.38,;4.83,17.15,;3.49,14.84,;2.16,14.07,;.83,14.84,;2.16,12.53,;.83,11.76,;3.49,11.76,;3.49,10.22,;2.16,9.45,;4.83,12.53,;6.2,11.71,;6.19,10.17,;7.6,12.5,;7.6,14.1,;8.93,14.88,;6.2,14.9,;4.83,14.07,;8.93,11.72,;8.93,10.12,;7.6,9.35,;10.33,9.33,;11.7,10.15,;13.04,9.38,;13.04,7.84,;14.37,7.07,;11.7,7.07,;14.37,10.15,;15.7,9.38,;14.37,11.69,;15.7,12.46,;13.04,12.46,;13.04,14,;14.37,14.77,;11.7,11.69,;10.33,12.52,;10.34,14.06,)|
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM31712
PNG
(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/a 5.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50129952
PNG
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
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n/an/a 8.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46572
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
Show InChI InChI=1S/C20H11N5O3S/c21-17-14(9-12-10-28-15-4-2-1-3-13(15)16(12)26)18(27)23-20-25(17)24-19(29-20)11-5-7-22-8-6-11/h1-10,21H/b14-9+,21-17?
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46578
PNG
((6Z)-5-imino-3-(isobutylsulfonyl)-6-[(2-methyl-1H-...)
Show SMILES CC(C)CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:18|
Show InChI InChI=1S/C19H19N5O3S2/c1-10(2)9-29(26,27)19-23-28-18-22-17(25)14(16(20)24(18)19)8-13-11(3)21-15-7-5-4-6-12(13)15/h4-8,10H,9,20H2,1-3H3/b13-8+
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n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46571
PNG
(4-({[4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
Show InChI InChI=1S/C25H21FN2O4S/c26-22-7-2-1-4-20(22)24-19-6-3-5-18(19)21-14-17(12-13-23(21)27-24)33(31,32)28-16-10-8-15(9-11-16)25(29)30/h1-5,7-14,18-19,24,27-28H,6H2,(H,29,30)
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM29680
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Show SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C25H18N2O6S/c1-32-16-6-4-5-15(10-16)27-24(31)17-7-2-3-8-19(17)26-25(27)34-13-14-9-23(30)33-22-12-21(29)20(28)11-18(14)22/h2-12,28-29H,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46577
PNG
((6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylene]...)
Show SMILES CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:13|
Show InChI InChI=1S/C16H13N5OS2/c1-8-10(9-5-3-4-6-12(9)18-8)7-11-13(17)21-15(19-14(11)22)24-20-16(21)23-2/h3-7H,17H2,1-2H3/b10-7+
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n/an/a 2.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50293573
PNG
(4-(4-(2,4-dihydroxyphenyl)thiazol-2-ylamino)benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/a 2.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46582
PNG
((4Z)-4-[[(7-chloro-4-quinolinyl)hydrazo]methyliden...)
Show SMILES Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
Show InChI InChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-8,21-22H,9H2
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n/an/a 3.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46583
PNG
(4-Isopropyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cy...)
Show SMILES CC(C)c1nc2sc3c([nH]cnc3=S)c2c2CCCc12
Show InChI InChI=1S/C15H15N3S2/c1-7(2)11-9-5-3-4-8(9)10-12-13(20-15(10)18-11)14(19)17-6-16-12/h6-7H,3-5H2,1-2H3,(H,16,17,19)
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n/an/a 4.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50269745
PNG
(CHEMBL463175 | Cephalochromin | cid_160115)
Show SMILES CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
Show InChI InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
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n/an/a 4.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46579
PNG
(2-chloranyl-1-[(5E)-5-[[2-(2-chlorophenyl)hydrazin...)
Show SMILES ClCC(=O)c1c[nH]c(CN=Nc2ccccc2Cl)c1 |w:10.10|
Show InChI InChI=1S/C13H11Cl2N3O/c14-6-13(19)9-5-10(16-7-9)8-17-18-12-4-2-1-3-11(12)15/h1-5,7,16H,6,8H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46588
PNG
(2-(chloromethyl)-1H-pyrimido[1,2-a]benzimidazol-4-...)
Show SMILES ClCc1cc(=O)n2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C11H8ClN3O/c12-6-7-5-10(16)15-9-4-2-1-3-8(9)14-11(15)13-7/h1-5H,6H2,(H,13,14)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46558
PNG
(MLS000540101 | N'-(9-acridinyl)-2,4-dihydroxyb...)
Show SMILES Oc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)c(O)c1
Show InChI InChI=1S/C20H15N3O3/c24-12-9-10-15(18(25)11-12)20(26)23-22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,24-25H,(H,21,22)(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46568
PNG
((2Z)-7-chloranyl-2-[(2E)-1-chloranyl-2-(3-chlorany...)
Show SMILES Oc1ccc(Cl)cc1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1 |w:9.10|
Show InChI InChI=1S/C16H9Cl3N2O2/c17-9-2-4-14(22)8(5-9)6-12(19)15-20-13-7-10(18)1-3-11(13)16(23)21-15/h1-7,22H,(H,20,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46576
PNG
(3-oxidanidyl-7-phenyl-4,5-dihydro-1H-imidazo[4,5-g...)
Show SMILES On1[o+]nc-2c1CCc1nc([n-]c-21)-c1ccccc1
Show InChI InChI=1S/C13H10N4O2/c18-17-10-7-6-9-11(12(10)16-19-17)15-13(14-9)8-4-2-1-3-5-8/h1-5,18H,6-7H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46589
PNG
(2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...)
Show SMILES Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
Show InChI InChI=1S/C16H18N6O2S/c17-7-10-9-6-11(25-8-12(23)24)20-14(18)13(9)15(19)21-16(10)22-4-2-1-3-5-22/h6H,1-5,8H2,(H2,18,20)(H2,19,21)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46590
PNG
(4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46591
PNG
(2-chloranyl-4-[5-[(Z)-2-[(5-methyl-1H-1,2,4-triazo...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H12ClN3O5S/c1-8-19-17(21-20-8)27-14(16(24)25)7-10-3-5-13(26-10)9-2-4-11(15(22)23)12(18)6-9/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46552
PNG
(2-methoxybenzoic acid (5-amino-1-tosyl-pyrazol-3-y...)
Show SMILES COc1ccccc1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H17N3O5S/c1-12-7-9-13(10-8-12)27(23,24)21-16(19)11-17(20-21)26-18(22)14-5-3-4-6-15(14)25-2/h3-11H,19H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46554
PNG
((2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(p...)
Show SMILES Cc1ccc(SCC(=O)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H14N2OS2/c1-12-6-8-13(9-7-12)22-11-16(21)14(10-19)18-20-15-4-2-3-5-17(15)23-18/h2-9,14H,11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46562
PNG
((5Z)-5-[(2-phenyl-1H-indol-3-yl)methylene]-2-thiox...)
Show SMILES SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C18H12N2OS2/c21-17-15(23-18(22)20-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,19H,(H,20,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46581
PNG
(2-[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]napht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
Show InChI InChI=1S/C18H14N2O7S2/c21-17(22)10-28-16-9-15(13-6-1-2-7-14(13)18(16)23)19-29(26,27)12-5-3-4-11(8-12)20(24)25/h1-9,19,23H,10H2,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46584
PNG
(2-N,4-N-dibenzylquinazoline-2,4-diamine;hydrochlor...)
Show SMILES C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46559
PNG
(2-(o-toluoylthiocarbamoylamino)benzoic acid methyl...)
Show SMILES COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C
Show InChI InChI=1S/C17H16N2O3S/c1-11-7-3-4-8-12(11)15(20)19-17(23)18-14-10-6-5-9-13(14)16(21)22-2/h3-10H,1-2H3,(H2,18,19,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46560
PNG
(2-[[4-(2,4-dichlorobenzyl)oxybenzylidene]amino]gua...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
Show InChI InChI=1S/C15H14Cl2N4O/c16-12-4-3-11(14(17)7-12)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46565
PNG
(2-Chloro-1-(5-methyl-1H-indol-3-yl)-ethanone | 2-c...)
Show SMILES Cc1ccc2[nH]cc(C(=O)CCl)c2c1
Show InChI InChI=1S/C11H10ClNO/c1-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46592
PNG
(2-methyl-N-(7-methyl-4-oxidanylidene-thieno[3,2-d]...)
Show SMILES Cc1csc2c1nc(NC(=O)c1ccccc1C)sc2=O
Show InChI InChI=1S/C15H12N2O2S2/c1-8-5-3-4-6-10(8)13(18)17-15-16-11-9(2)7-20-12(11)14(19)21-15/h3-7H,1-2H3,(H,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46553
PNG
((6Z)-6-(4-anilino-6-methyl-1H-pyrimidin-2-ylidene)...)
Show SMILES Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O
Show InChI InChI=1S/C17H15N3O/c1-12-11-16(19-13-7-3-2-4-8-13)20-17(18-12)14-9-5-6-10-15(14)21/h2-11,21H,1H3,(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46569
PNG
(2,2-bis(chloranyl)-N-(4-fluorophenyl)-3-phenyl-cyc...)
Show SMILES Fc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1
Show InChI InChI=1S/C16H12Cl2FNO/c17-16(18)13(10-4-2-1-3-5-10)14(16)15(21)20-12-8-6-11(19)7-9-12/h1-9,13-14H,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46570
PNG
(2-[(2,5-dimethylphenyl)thio]acetic acid [3-cyano-3...)
Show SMILES Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C21H19N3O3S/c1-13-7-8-14(2)19(9-13)28-12-20(26)27-11-18(25)15(10-22)21-23-16-5-3-4-6-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46573
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(1H-indol-3-...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H10N2O5S/c18-12(10-7-16-11-4-2-1-3-9(10)11)8-22-15(19)13-5-6-14(23-13)17(20)21/h1-7,16H,8H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46586
PNG
(Acetic acid 4,4,6-trimethyl-2-oxo-1-[4-oxo-2-thiox...)
Show SMILES CC(=O)Oc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(=S)NC1=O |c:17|
Show InChI InChI=1S/C19H16N2O4S2/c1-8-7-19(3,4)21-14-11(8)5-10(25-9(2)22)6-12(14)13(17(21)24)15-16(23)20-18(26)27-15/h5-7H,1-4H3,(H,20,23,26)/b15-13-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46556
PNG
((5Z)-5-[2-[(4-methyl-2-oxido-furazan-2-ium-3-yl)me...)
Show SMILES Cc1n[o+]n([O-])c1COc1ccccc1\C=C1/NC(=S)NC1=O
Show InChI InChI=1S/C14H12N4O4S/c1-8-11(18(20)22-17-8)7-21-12-5-3-2-4-9(12)6-10-13(19)16-14(23)15-10/h2-6H,7H2,1H3,(H2,15,16,19,23)/b10-6-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46585
PNG
(2-(2-fluorophenyl)-N-(phenylmethyl)-4-quinazolinam...)
Show SMILES Fc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C21H16FN3/c22-18-12-6-4-10-16(18)21-24-19-13-7-5-11-17(19)20(25-21)23-14-15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46567
PNG
(MLS000374959 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES ClCC(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Show InChI InChI=1S/C13H9ClN2O3S/c14-7-10(17)15-13-16-11(8-3-1-5-18-8)12(20-13)9-4-2-6-19-9/h1-6H,7H2,(H,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46563
PNG
(4-chloranyl-N-[1-(phenylmethyl)pyrrolo[3,2-b]quino...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46561
PNG
(3-(N'-p-anisylidenehydrazino)-6-phenyl-2H-1,2,4-tr...)
Show SMILES COc1ccc(CN=Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 |w:8.8|
Show InChI InChI=1S/C17H15N5O2/c1-24-14-9-7-12(8-10-14)11-18-21-17-19-16(23)15(20-22-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46580
PNG
(3-(2-fluoren-9-ylidenehydrazinyl)benzoic acid | 3-...)
Show SMILES [#8]-[#6](=O)-c1cccc(-[#7]\[#7]=[#6]-2\c3ccccc3-c3ccccc-23)c1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)13-6-5-7-14(12-13)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12,21H,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46575
PNG
(2-chloranyl-1-(1-methylindol-3-yl)ethanone | 2-chl...)
Show SMILES Cn1cc(C(=O)CCl)c2ccccc12
Show InChI InChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46574
PNG
(2-chloranyl-1-(2-methyl-1H-indol-3-yl)ethanone | 2...)
Show SMILES Cc1[nH]c2ccccc2c1C(=O)CCl
Show InChI InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46557
PNG
(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Show SMILES CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H9ClF3N5O3S/c1-2-24-15(26)12(17)11(13(23-24)25(27)28)8(6-21)14-22-9-5-7(16(18,19)20)3-4-10(9)29-14/h3-5,8H,2H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM46587
PNG
(6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazin...)
Show SMILES Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%