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Compile Data Set for Download or QSAR

Found 271 hits Enz. Inhib. hit(s) with Target = 'MCOLN3 protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MCOLN3 protein


(Homo sapiens)
BDBM46876
PNG
(2-[methyl(tosyl)amino]acetic acid [(Z)-[amino-(3-n...)
Show SMILES CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H18N4O6S/c1-12-6-8-15(9-7-12)28(25,26)20(2)11-16(22)27-19-17(18)13-4-3-5-14(10-13)21(23)24/h3-10H,11H2,1-2H3,(H2,18,19)
KEGG

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n/an/an/an/a 1.21E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46877
PNG
(MLS000530990 | N,4-dimethyl-N-(4-methylphenyl)benz...)
Show SMILES CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C15H17NO2S/c1-12-4-8-14(9-5-12)16(3)19(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
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n/an/an/an/a 5.10E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46878
PNG
(1-isopropyl-4,6-dimethyl-3-(o-tolylsulfonyl)-2-pyr...)
Show SMILES CC(C)n1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C17H21NO3S/c1-11(2)18-14(5)10-13(4)16(17(18)19)22(20,21)15-9-7-6-8-12(15)3/h6-11H,1-5H3
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n/an/an/an/a 2.44E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46879
PNG
(MLS000538545 | N-(2,4-dichlorobenzyl)-N-(2,6-dioxo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O
Show InChI InChI=1S/C19H15Cl2N3O5/c20-14-7-4-13(16(21)10-14)11-22(23-17(25)2-1-3-18(23)26)19(27)12-5-8-15(9-6-12)24(28)29/h4-10H,1-3,11H2
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46880
PNG
(2-[benzenesulfonyl(methyl)amino]acetic acid [(Z)-[...)
Show SMILES CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O6S/c1-19(27(24,25)14-8-3-2-4-9-14)11-15(21)26-18-16(17)12-6-5-7-13(10-12)20(22)23/h2-10H,11H2,1H3,(H2,17,18)
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n/an/an/an/a 1.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46881
PNG
(2,2,4,6-tetramethyl-1-({[5-(4-methylphenyl)-1,3,4-...)
Show SMILES CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccc(C)cc2)c2ccc(C)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-9-18(10-7-15)22-25-26-23(29-22)30-14-21(28)27-20-11-8-16(2)12-19(20)17(3)13-24(27,4)5/h6-13H,14H2,1-5H3
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n/an/an/an/a 7.81E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46882
PNG
(1-(3-ethoxy-4-fluoranyl-phenyl)sulfonylazepane | 1...)
Show SMILES CCOc1cc(ccc1F)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C14H20FNO3S/c1-2-19-14-11-12(7-8-13(14)15)20(17,18)16-9-5-3-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3
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n/an/an/an/a>2.99E+4n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM40318
PNG
(1-cyclohexyl-3-(1-phenylethyl)-2,5-pyrrolidinedion...)
Show SMILES CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-13(14-8-4-2-5-9-14)16-12-17(20)19(18(16)21)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46883
PNG
(2-[[6-(2-furanylmethyl)-3-(2-methoxyphenyl)-7-oxo-...)
Show SMILES CCOC(=O)CSc1nc2n(-c3ccccc3OC)c(=S)sc2c(=O)n1Cc1ccco1
Show InChI InChI=1S/C21H19N3O5S3/c1-3-28-16(25)12-31-20-22-18-17(19(26)23(20)11-13-7-6-10-29-13)32-21(30)24(18)14-8-4-5-9-15(14)27-2/h4-10H,3,11-12H2,1-2H3
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n/an/an/an/a 370n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46884
PNG
(2,3-bis(chloranyl)-N-cyclopentyl-4-methoxy-benzene...)
Show SMILES COc1ccc(c(Cl)c1Cl)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C12H15Cl2NO3S/c1-18-9-6-7-10(12(14)11(9)13)19(16,17)15-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3
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n/an/an/an/a 3.55E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46885
PNG
(4-[oxo-(2,4,6-trimethylphenyl)methyl]-N,N-di(propa...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H29NO2/c1-14(2)24(15(3)4)23(26)20-10-8-19(9-11-20)22(25)21-17(6)12-16(5)13-18(21)7/h8-15H,1-7H3
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n/an/an/an/a 2.24E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46886
PNG
(4-(3,4-dihydro-1(2H)-quinolinylcarbonyl)-N,N-dipro...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C22H28N2O3S/c1-3-15-23(16-4-2)28(26,27)20-13-11-19(12-14-20)22(25)24-17-7-9-18-8-5-6-10-21(18)24/h5-6,8,10-14H,3-4,7,9,15-17H2,1-2H3
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n/an/an/an/a 1.33E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46887
PNG
(MLS000557320 | N,N-Diethyl-2-[2-isopropyl-4-(2-met...)
Show SMILES CCN(CC)C(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
Show InChI InChI=1S/C21H33NO3/c1-6-22(7-2)20(23)15-21(12-13-25-19(14-21)16(3)4)17-10-8-9-11-18(17)24-5/h8-11,16,19H,6-7,12-15H2,1-5H3
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n/an/an/an/a 6.96E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM32750
PNG
(MLS000567354 | N-methyl-N-(2-phenoxyethyl)-5-(1-pi...)
Show SMILES CN(CCOc1ccccc1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C19H25N3O3S/c1-21(14-15-25-17-8-4-2-5-9-17)19-11-10-18(16-20-19)26(23,24)22-12-6-3-7-13-22/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3
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n/an/an/an/a 2.58E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46888
PNG
(5-chloranyl-N-(2-piperidin-1-ylphenyl)thiophene-2-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
Show InChI InChI=1S/C15H17ClN2O2S2/c16-14-8-9-15(21-14)22(19,20)17-12-6-2-3-7-13(12)18-10-4-1-5-11-18/h2-3,6-9,17H,1,4-5,10-11H2
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n/an/an/an/a 872n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46889
PNG
(4-chloranyl-N-[2,6-dimethyl-3-(4-methylpiperazin-1...)
Show SMILES CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClN3O4S2/c1-15-5-10-19(30(27,28)24-13-11-22(3)12-14-24)16(2)20(15)23(4)29(25,26)18-8-6-17(21)7-9-18/h5-10H,11-14H2,1-4H3
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n/an/an/an/a 3.34E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46890
PNG
(2-(2,5-dichlorophenoxy)-N-[10-(1-methylethylidene)...)
Show SMILES CCC(Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)C2C3CCC(C2C1=O)C3=C(C)C
Show InChI InChI=1S/C22H24Cl2N2O4/c1-4-15(30-16-9-11(23)5-8-14(16)24)20(27)25-26-21(28)18-12-6-7-13(17(12)10(2)3)19(18)22(26)29/h5,8-9,12-13,15,18-19H,4,6-7H2,1-3H3,(H,25,27)
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n/an/an/an/a 3.99E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46891
PNG
(5-bromanyl-N-[(thiophen-2-ylcarbonylamino)carbamot...)
Show SMILES Brc1ccc(o1)C(=O)NC(=S)NNC(=O)c1cccs1
Show InChI InChI=1S/C11H8BrN3O3S2/c12-8-4-3-6(18-8)9(16)13-11(19)15-14-10(17)7-2-1-5-20-7/h1-5H,(H,14,17)(H2,13,15,16,19)
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n/an/an/an/a 5.99E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46892
PNG
(4'-(2-methoxyphenyl)-4',5',6,7,8,9-hex...)
Show SMILES COc1ccccc1C1CN=NC11CCCc2ccccc2C1=O
Show InChI InChI=1S/C20H20N2O2/c1-24-18-11-5-4-10-16(18)17-13-21-22-20(17)12-6-8-14-7-2-3-9-15(14)19(20)23/h2-5,7,9-11,17H,6,8,12-13H2,1H3
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n/an/an/an/a 1.83E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46893
PNG
(4'-(1-naphthyl)-4',5',6,7,8,9-hexahydr...)
Show SMILES O=C1c2ccccc2CCCC11N=NCC1c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O/c26-22-19-12-4-2-8-17(19)10-6-14-23(22)21(15-24-25-23)20-13-5-9-16-7-1-3-11-18(16)20/h1-5,7-9,11-13,21H,6,10,14-15H2
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n/an/an/an/a 3.31E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46894
PNG
(4-(benzenesulfonylmethyl)-6-chloro-2-phenylpyrimid...)
Show SMILES Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-16-11-14(12-23(21,22)15-9-5-2-6-10-15)19-17(20-16)13-7-3-1-4-8-13/h1-11H,12H2
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n/an/an/an/a 5.36E+3n/an/an/an/a



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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46895
PNG
(4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-[3-(trif...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S/c1-13-7-9-18(10-8-13)29(26,27)19-14(2)11-15(3)25-20(19)28-17-6-4-5-16(12-17)21(22,23)24/h4-12H,1-3H3
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n/an/an/an/a 5.23E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46896
PNG
((2-besyl-1-phenyl-vinyl)benzene | MLS000544716 | S...)
Show SMILES O=S(=O)(C=C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O2S/c21-23(22,19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
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n/an/an/an/a 2.82E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46897
PNG
(5-tert-Butyl-3-methyl-furan-2-carboxylic acid cycl...)
Show SMILES Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C)C(C)(C)C
Show InChI InChI=1S/C25H34N2O3/c1-16-10-9-11-17(2)22(16)27(15-21(28)26-19-12-7-8-13-19)24(29)23-18(3)14-20(30-23)25(4,5)6/h9-11,14,19H,7-8,12-13,15H2,1-6H3,(H,26,28)
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n/an/an/an/a 2.54E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46898
PNG
(1-(3-Benzoyl-thioureido)-3,3-dimethyl-3,4-dihydro-...)
Show SMILES CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(C)C
Show InChI InChI=1S/C23H24N2O3S/c1-4-28-21(27)18-19(17-13-9-8-12-16(17)14-23(18,2)3)24-22(29)25-20(26)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3,(H2,24,25,26,29)
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n/an/an/an/a 5.50E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46899
PNG
(5-tert-Butyl-3-methyl-furan-2-carboxylic acid (2-c...)
Show SMILES Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C24H31ClN2O3/c1-16-13-20(24(2,3)4)30-22(16)23(29)27(14-17-9-5-8-12-19(17)25)15-21(28)26-18-10-6-7-11-18/h5,8-9,12-13,18H,6-7,10-11,14-15H2,1-4H3,(H,26,28)
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n/an/an/an/a>2.99E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46900
PNG
(4,5-Dichloro-isothiazole-3-carboxylic acid benzyl-...)
Show SMILES COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-33-19-13-11-17(12-14-19)22(24(31)28-18-9-5-6-10-18)30(15-16-7-3-2-4-8-16)25(32)21-20(26)23(27)34-29-21/h2-4,7-8,11-14,18,22H,5-6,9-10,15H2,1H3,(H,28,31)
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n/an/an/an/a>2.99E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46901
PNG
(4-(2,4-dichlorophenyl)-N,N-dimethyl-5-(phenylsulfo...)
Show SMILES CN(C)c1ncc(c(n1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-23(2)18-21-11-16(26(24,25)13-6-4-3-5-7-13)17(22-18)14-9-8-12(19)10-15(14)20/h3-11H,1-2H3
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n/an/an/an/a 1.87E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46818
PNG
(MLS000074627 | N-Cyclopropyl-4-(2-ethyl-piperidine...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)C1CC1
Show InChI InChI=1S/C21H28N2O4S3/c1-2-17-6-3-4-14-22(17)29(24,25)20-10-12-21(13-11-20)30(26,27)23(18-8-9-18)16-19-7-5-15-28-19/h5,7,10-13,15,17-18H,2-4,6,8-9,14,16H2,1H3
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n/an/an/an/a 1.16E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46819
PNG
(1-azepanyl-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCCC1
Show InChI InChI=1S/C22H25FN2O3S/c23-19-9-11-20(12-10-19)29(27,28)25-16-18-8-4-3-7-17(18)15-21(25)22(26)24-13-5-1-2-6-14-24/h3-4,7-12,21H,1-2,5-6,13-16H2
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n/an/an/an/a 3.72E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM37357
PNG
(1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-1-(4-fluoro...)
Show SMILES COc1cccc(CN(Cc2ccco2)C(c2nnnn2C(C)(C)C)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H28FN5O2/c1-25(2,3)31-24(27-28-29-31)23(19-10-12-20(26)13-11-19)30(17-22-9-6-14-33-22)16-18-7-5-8-21(15-18)32-4/h5-15,23H,16-17H2,1-4H3
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n/an/an/an/a>2.99E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46820
PNG
(5,5-Dimethyl-2-phenyl-3a,4,5,6,7,8,9,9a-octahydro-...)
Show SMILES CC1(C)CCCC2=C1Cc1c(C2)c(O)n(c1O)-c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-20(2)10-6-7-13-11-15-16(12-17(13)20)19(23)21(18(15)22)14-8-4-3-5-9-14/h3-5,8-9,22-23H,6-7,10-12H2,1-2H3
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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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46821
PNG
(MLS000070204 | N-(2-Methoxy-phenyl)-N-(2-oxo-2-pip...)
Show SMILES COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O4S/c1-26-19-13-7-6-12-18(19)22(16-20(23)21-14-8-3-9-15-21)27(24,25)17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3
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n/an/an/an/a 590n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM36859
PNG
(1-(2,6-Dimethyl-piperidin-1-yl)-2-{4-[4-(4-fluoro-...)
Show SMILES CC1CCCC(C)N1C(=O)CN1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN4OS/c1-16-4-3-5-17(2)27(16)21(28)14-25-10-12-26(13-11-25)22-24-20(15-29-22)18-6-8-19(23)9-7-18/h6-9,15-17H,3-5,10-14H2,1-2H3
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n/an/an/an/a 2.74E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46822
PNG
(MLS000072813 | SMR000010879 | [2-(4-Fluoro-benzene...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-8-10-19(11-9-18)28(26,27)24-15-17-7-3-2-6-16(17)14-20(24)21(25)23-12-4-1-5-13-23/h2-3,6-11,20H,1,4-5,12-15H2
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n/an/an/an/a 2.06E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46823
PNG
(MLS000027109 | N-(5-Chloro-2-methoxy-phenyl)-3,4-d...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(Cl)ccc1OC
Show InChI InChI=1S/C21H25ClN2O7S/c1-28-18-6-4-15(22)12-17(18)24(14-21(25)23-8-10-31-11-9-23)32(26,27)16-5-7-19(29-2)20(13-16)30-3/h4-7,12-13H,8-11,14H2,1-3H3
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n/an/an/an/a 4.75E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46824
PNG
(MLS000076457 | N-(2,4-Dimethoxy-phenyl)-N-(2-oxo-2...)
Show SMILES COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C21H26N2O5S/c1-27-17-11-12-19(20(15-17)28-2)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
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n/an/an/an/a 1.84E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46825
PNG
(MLS000080225 | N-tert-butyl-3-(3-tert-butyl-1-meth...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)
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n/an/an/an/a 781n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46826
PNG
(3-(3,5-dimethylphenyl)-2-(2-thienyl)thiazolidin-4-...)
Show SMILES Cc1cc(C)cc(c1)N1C(SCC1=O)c1cccs1
Show InChI InChI=1S/C15H15NOS2/c1-10-6-11(2)8-12(7-10)16-14(17)9-19-15(16)13-4-3-5-18-13/h3-8,15H,9H2,1-2H3
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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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM38810
PNG
(MLS000048822 | N-[2-(4,6-dimethyl-2-pyrimidinyl)-5...)
Show SMILES CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-5-17(16-9-7-6-8-10-16)19(26)23-18-12-15(4)24-25(18)20-21-13(2)11-14(3)22-20/h6-12,17H,5H2,1-4H3,(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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46827
PNG
(5-chloranyl-N-(2-morpholin-4-ylphenyl)thiophene-2-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C14H15ClN2O3S2/c15-13-5-6-14(21-13)22(18,19)16-11-3-1-2-4-12(11)17-7-9-20-10-8-17/h1-6,16H,7-10H2
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n/an/an/an/a 1.36E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46828
PNG
(1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-pro...)
Show SMILES COCn1cc(c2cc(OCC=C)ccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-16-7-10-19-18(12-16)20(13-21(19)14-24-3)26(22,23)17-8-5-15(2)6-9-17/h4-10,12-13H,1,11,14H2,2-3H3
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n/an/an/an/a 1.16E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46829
PNG
(1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]...)
Show SMILES Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C21H28N2O4S/c1-14-10-12-17(13-11-14)28(25,26)18-15(2)22-23(21(3,4)5)19(18)27-20(24)16-8-6-7-9-16/h10-13,16H,6-9H2,1-5H3
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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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46830
PNG
(MLS000047371 | N-[4-chloranyl-3-(trifluoromethyl)p...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H18ClF4N3O3S/c20-17-6-3-14(11-16(17)19(22,23)24)25-18(28)12-26-7-9-27(10-8-26)31(29,30)15-4-1-13(21)2-5-15/h1-6,11H,7-10,12H2,(H,25,28)
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n/an/an/an/a 3.50E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46831
PNG
(1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]...)
Show SMILES Cc1nn(c(OC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H28N2O4S/c1-13-9-11-15(12-10-13)27(24,25)16-14(2)21-22(20(6,7)8)17(16)26-18(23)19(3,4)5/h9-12H,1-8H3
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n/an/an/an/a 5.15E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46832
PNG
(4-(4-fluorophenyl)sulfonyl-1-(2-phenylethyl)pipera...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C18H17FN2O4S/c19-15-6-8-16(9-7-15)26(24,25)20-12-17(22)21(18(23)13-20)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2
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n/an/an/an/a 6.15E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46833
PNG
((2Z)-2-(1,3-dioxolan-4-ylidene)-N,N,N-trimethyleth...)
Show SMILES C[N+](C)(C)C\C=C1\COCO1
Show InChI InChI=1S/C8H16NO2/c1-9(2,3)5-4-8-6-10-7-11-8/h4H,5-7H2,1-3H3/q+1/b8-4-
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n/an/an/an/a 4.76E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46834
PNG
(3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imida...)
Show SMILES Cc1onc(c1C(=O)Nc1cccc(c1)-c1nc2ncccn2c1C)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN5O2/c1-14-21(28-24-26-11-6-12-30(14)24)16-7-5-8-17(13-16)27-23(31)20-15(2)32-29-22(20)18-9-3-4-10-19(18)25/h3-13H,1-2H3,(H,27,31)
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n/an/an/an/a>2.99E+4n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46835
PNG
(MLS000086935 | N-cycloheptyl-8-quinolinesulfonamid...)
Show SMILES O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,18-14-9-3-1-2-4-10-14)15-11-5-7-13-8-6-12-17-16(13)15/h5-8,11-12,14,18H,1-4,9-10H2
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n/an/an/an/a 3.40E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46836
PNG
(1-tert-butyl-3-methyl-4-(phenylsulfonyl)-1H-pyrazo...)
Show SMILES Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O4S/c1-14-17(27(24,25)16-12-6-5-7-13-16)18(22(21-14)20(2,3)4)26-19(23)15-10-8-9-11-15/h5-7,12-13,15H,8-11H2,1-4H3
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n/an/an/an/a>9.99E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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