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PubChem AID 1562

Compile data set for download or QSAR
Found 188 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
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46839
PNG
(4-fluoranyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol...)
Show SMILES CC(C)N(Cc1nc(no1)-c1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O3S/c1-13(2)23(27(24,25)17-9-7-16(20)8-10-17)12-18-21-19(22-26-18)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 1.77E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46841
PNG
(MLS000066666 | N-cyclohexyl-4-methoxy-2,3-dimethyl...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C15H23NO3S/c1-11-12(2)15(10-9-14(11)19-3)20(17,18)16-13-7-5-4-6-8-13/h9-10,13,16H,4-8H2,1-3H3
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n/an/an/an/a>3.32E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
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>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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46853
PNG
(2-[2-keto-2-(2,2,4-trimethyl-1-quinolyl)ethyl]isoi...)
Show SMILES CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-12H,13H2,1-3H3
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n/an/an/an/a 1.45E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46857
PNG
(4,4-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=S)SCC1(C)C
Show InChI InChI=1S/C12H15NO2S3/c1-9-4-6-10(7-5-9)18(14,15)13-11(16)17-8-12(13,2)3/h4-7H,8H2,1-3H3
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n/an/an/an/a 7.22E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46859
PNG
((+)-BUTACLAMOL HYDROCHLORIDE | Butaclamol | MLS000...)
Show SMILES Cl.CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m0./s1
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n/an/an/an/a 3.98E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46860
PNG
(MLS000391981 | N-cyclohexyl-7-methyl-2,1,3-benzoth...)
Show SMILES Cc1ccc(c2nsnc12)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C13H17N3O2S2/c1-9-7-8-11(13-12(9)14-19-15-13)20(17,18)16-10-5-3-2-4-6-10/h7-8,10,16H,2-6H2,1H3
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n/an/an/an/a 8.34E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46874
PNG
(4,6-dimethyl-1-(2-methylallyl)-3-(o-tolylsulfonyl)...)
Show SMILES CC(=C)Cn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C18H21NO3S/c1-12(2)11-19-15(5)10-14(4)17(18(19)20)23(21,22)16-9-7-6-8-13(16)3/h6-10H,1,11H2,2-5H3
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n/an/an/an/a 5.90E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46903
PNG
(1-[(1,3-benzothiazol-2-ylthio)acetyl]-6-methoxy-2,...)
Show SMILES COc1ccc2N(C(=O)CSc3nc4ccccc4s3)C(C)(C)CC(C)c2c1
Show InChI InChI=1S/C22H24N2O2S2/c1-14-12-22(2,3)24(18-10-9-15(26-4)11-16(14)18)20(25)13-27-21-23-17-7-5-6-8-19(17)28-21/h5-11,14H,12-13H2,1-4H3
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n/an/an/an/a 2.63E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46909
PNG
(1-(2-isopropyl-5-nitro-phenyl)sulfonylazepane | 1-...)
Show SMILES CC(C)c1ccc(cc1S(=O)(=O)N1CCCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C15H22N2O4S/c1-12(2)14-8-7-13(17(18)19)11-15(14)22(20,21)16-9-5-3-4-6-10-16/h7-8,11-12H,3-6,9-10H2,1-2H3
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n/an/an/an/a 2.26E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46918
PNG
(4-(2-Ethyl-piperidine-1-sulfonyl)-N-pyridin-2-ylme...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1ccccn1
Show InChI InChI=1S/C24H33N3O5S2/c1-2-21-9-4-6-16-27(21)34(30,31)24-13-11-23(12-14-24)33(28,29)26(19-22-10-7-17-32-22)18-20-8-3-5-15-25-20/h3,5,8,11-15,21-22H,2,4,6-7,9-10,16-19H2,1H3
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n/an/an/an/a 1.81E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46923
PNG
(MLS000586091 | N'-[hydroxy(diphenyl)acetyl]-N-...)
Show SMILES CC(N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2O3/c1-22(23-14-6-2-7-15-23)31(27(32)24-16-8-3-9-17-24)30-28(33)29(34,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,34H,1H3,(H,30,33)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46944
PNG
(1-(2,5-dichlorophenyl)-4-(1-piperidinylsulfonyl)pi...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H21Cl2N3O2S/c16-13-4-5-14(17)15(12-13)18-8-10-20(11-9-18)23(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11H2
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n/an/an/an/a 2.07E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46949
PNG
(MLS000689886 | N-(4-methoxy-2-nitro-phenyl)-N,4-di...)
Show SMILES COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H16N2O5S/c1-11-4-7-13(8-5-11)23(20,21)16(2)14-9-6-12(22-3)10-15(14)17(18)19/h4-10H,1-3H3
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n/an/an/an/a 3.13E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM43883
PNG
(2-azanylidene-3-[5-[(3-chlorophenyl)methyl]-1,3-th...)
Show SMILES Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
Show InChI InChI=1S/C13H10ClN3OS2/c14-9-3-1-2-8(4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
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n/an/an/an/a 5.44E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46971
PNG
(MLS000773570 | N,4-dimethyl-N-(3-methylsulfanylqui...)
Show SMILES CSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H17N3O2S2/c1-12-8-10-13(11-9-12)24(21,22)20(2)16-17(23-3)19-15-7-5-4-6-14(15)18-16/h4-11H,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46979
PNG
(1,4,10-Trioxa-7,13-diaza-cyclopentadecane-7,13-dic...)
Show SMILES S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
Show InChI InChI=1S/C24H44N4O3S2/c32-23(25-21-7-3-1-4-8-21)27-11-15-29-16-12-28(14-18-31-20-19-30-17-13-27)24(33)26-22-9-5-2-6-10-22/h21-22H,1-20H2,(H,25,32)(H,26,33)
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n/an/an/an/a 2.04E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46986
PNG
(4-chloro-2-[(2-chloro-6-fluoro-benzyl)-mesyl-amino...)
Show SMILES COC(=O)c1ccc(Cl)cc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H14Cl2FNO4S/c1-24-16(21)11-7-6-10(17)8-15(11)20(25(2,22)23)9-12-13(18)4-3-5-14(12)19/h3-8H,9H2,1-2H3
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n/an/an/an/a 2.49E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46838
PNG
(4-(2,5-dichlorophenyl)-N,N-dimethyl-1-piperazinesu...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C12H17Cl2N3O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-9-10(13)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3
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n/an/an/an/a 2.65E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 2.26E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46865
PNG
(4-({2-isopropyl-3-[(4-methylphenyl)sulfonyl]-1-imi...)
Show SMILES CSc1nsc(SC)c1C(=O)N1CCN(C1C(C)C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H25N3O3S4/c1-12(2)17-21(18(23)15-16(26-4)20-28-19(15)27-5)10-11-22(17)29(24,25)14-8-6-13(3)7-9-14/h6-9,12,17H,10-11H2,1-5H3
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n/an/an/an/a 1.05E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46872
PNG
(1-(4-methylphenyl)sulfonyl-4-[3-methyl-1-[[4-(trif...)
Show SMILES CC(C)C(COCc1ccc(cc1)C(F)(F)F)N1CCN(CCC1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H31F3N2O4S/c1-18(2)23(17-34-16-20-6-8-21(9-7-20)25(26,27)28)30-15-14-29(13-12-24(30)31)35(32,33)22-10-4-19(3)5-11-22/h4-11,18,23H,12-17H2,1-3H3
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n/an/an/an/a 3.92E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46908
PNG
(3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methox...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(OC)c(c2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN2O6S2/c1-24(32(27,28)18-10-4-15(22)5-11-18)20-14-19(12-13-21(20)30-3)31(25,26)23-16-6-8-17(29-2)9-7-16/h4-14,23H,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46924
PNG
(2-methyl-2-[(3-methylbenzyl)-(3-nitrophenyl)sulfon...)
Show SMILES CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6S/c1-5-28-19(23)20(3,4)21(14-16-9-6-8-15(2)12-16)29(26,27)18-11-7-10-17(13-18)22(24)25/h6-13H,5,14H2,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46932
PNG
(3,4-dimethyl-N-(2-phenylphenyl)benzenesulfonamide ...)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H19NO2S/c1-15-12-13-18(14-16(15)2)24(22,23)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14,21H,1-2H3
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n/an/an/an/a 2.50E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46937
PNG
(1-[bis(bromanyl)methyl]-6-bromanyl-N-tert-butyl-5,...)
Show SMILES CC(C)(C)NC(=O)C12CCC(C(Br)Br)(C1Br)C2(C)C
Show InChI InChI=1S/C14H22Br3NO/c1-11(2,3)18-10(19)14-7-6-13(8(14)15,9(16)17)12(14,4)5/h8-9H,6-7H2,1-5H3,(H,18,19)
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n/an/an/an/a>1.11E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46938
PNG
(MLS000523337 | N-(4-methoxy-6-methyl-2-pyrimidinyl...)
Show SMILES COc1cc(C)nc(n1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-15-9-11-18(12-10-15)27(24,25)23(14-17-7-5-4-6-8-17)20-21-16(2)13-19(22-20)26-3/h4-13H,14H2,1-3H3
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n/an/an/an/a 6.93E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46948
PNG
(1-(5-chloranyl-2-methyl-phenyl)-4-piperidin-1-ylsu...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O2S/c1-14-5-6-15(17)13-16(14)18-9-11-20(12-10-18)23(21,22)19-7-3-2-4-8-19/h5-6,13H,2-4,7-12H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46950
PNG
(4-methyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-piper...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O4S/c1-10-5-7-14(8-6-10)20(18,19)12-4-3-11(2)13(9-12)15(16)17/h3-4,9-10H,5-8H2,1-2H3
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n/an/an/an/a 3.51E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46960
PNG
(2-azanylidene-3-[5-[(2-chlorophenyl)methyl]-1,3-th...)
Show SMILES Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
Show InChI InChI=1S/C13H10ClN3OS2/c14-10-4-2-1-3-8(10)5-9-6-16-13(20-9)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46965
PNG
(2,3-bis(chloranyl)-N-methyl-N-phenyl-benzenesulfon...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H11Cl2NO2S/c1-16(10-6-3-2-4-7-10)19(17,18)12-9-5-8-11(14)13(12)15/h2-9H,1H3
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n/an/an/an/a 4.52E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46970
PNG
(2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)a...)
Show SMILES Clc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1Cl
Show InChI InChI=1S/C18H18Cl2N2O2/c19-14-6-5-13(11-15(14)20)12-18(23)21-16-3-1-2-4-17(16)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
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n/an/an/an/a 2.89E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM32956
PNG
(MLS000771400 | N-(2-furanylmethyl)-5-methyl-3-phen...)
Show SMILES Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3S/c1-15-19(20(22-26-15)16-7-3-2-4-8-16)21(24)23(13-17-9-5-11-25-17)14-18-10-6-12-27-18/h2-12H,13-14H2,1H3
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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


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46974
PNG
(MLS000775460 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2...)
Show SMILES CCc1nnc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)s1
Show InChI InChI=1S/C20H22N4O4S2/c1-4-19-22-23-20(29-19)21-18(25)13-28-16-9-7-15(8-10-16)24(3)30(26,27)17-11-5-14(2)6-12-17/h5-12H,4,13H2,1-3H3,(H,21,23,25)
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n/an/an/an/a 3.27E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46977
PNG
(3-(1-Furan-2-yl-2-nitro-ethyl)-2-oxo-4-phenyl-pyrr...)
Show SMILES COC(=O)C1(C(C[N+]([O-])=O)c2ccco2)C(CNC1=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O6/c1-25-17(22)18(14(11-20(23)24)15-8-5-9-26-15)13(10-19-16(18)21)12-6-3-2-4-7-12/h2-9,13-14H,10-11H2,1H3,(H,19,21)
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n/an/an/an/a 7.77E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM44576
PNG
(1-(2-bromanyl-4-chloranyl-phenyl)sulfonylpiperidin...)
Show SMILES Clc1ccc(c(Br)c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C11H13BrClNO2S/c12-10-8-9(13)4-5-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46847
PNG
(1-(4-chloranyl-3-methoxy-phenyl)sulfonylazepane | ...)
Show SMILES COc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C13H18ClNO3S/c1-18-13-10-11(6-7-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
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n/an/an/an/a 1.90E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46848
PNG
(1-cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedio...)
Show SMILES Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
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n/an/an/an/a 3.41E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46856
PNG
((1-besylcyclopentyl)sulfonylbenzene | MLS000105099...)
Show SMILES O=S(=O)(c1ccccc1)C1(CCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18O4S2/c18-22(19,15-9-3-1-4-10-15)17(13-7-8-14-17)23(20,21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
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n/an/an/an/a 5.62E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM39637
PNG
(4-Methyl-1-(naphthalene-2-sulfonyl)-piperidine | 4...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO2S/c1-13-8-10-17(11-9-13)20(18,19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
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n/an/an/an/a 2.83E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46917
PNG
(5-Hydroxy-2-p-tolylsulfanylmethyl-benzofuran-3-car...)
Show SMILES CCOC(=O)c1c(CSc2ccc(C)cc2)oc2ccc(O)cc12
Show InChI InChI=1S/C19H18O4S/c1-3-22-19(21)18-15-10-13(20)6-9-16(15)23-17(18)11-24-14-7-4-12(2)5-8-14/h4-10,20H,3,11H2,1-2H3
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n/an/an/an/a 4.33E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46921
PNG
(1-(6-Ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)...)
Show SMILES CCNC(=S)N(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O
Show InChI InChI=1S/C20H23N3O2S2/c1-3-21-20(26)23(13-17-6-5-9-27-17)12-15-10-14-11-16(25-4-2)7-8-18(14)22-19(15)24/h5-11H,3-4,12-13H2,1-2H3,(H,21,26)(H,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46929
PNG
(MLS000375010 | N,N-diethylcarbamodithioic acid [2-...)
Show SMILES CCN(CC)C(=S)SCC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H28N2OS2/c1-3-19(4-2)16(21)22-11-15(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-11H2,1-2H3,(H,18,20)
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n/an/an/an/a 1.47E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46952
PNG
(4-chloranyl-N-(2-morpholin-4-ylcyclohexyl)benzenes...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
Show InChI InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2
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n/an/an/an/a 823n/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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46955
PNG
(4-methyl-1-(4-propan-2-ylphenyl)sulfonyl-piperidin...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H23NO2S/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16/h4-7,12-13H,8-11H2,1-3H3
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n/an/an/an/a 1.33E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46964
PNG
(2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]...)
Show SMILES Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
Show InChI InChI=1S/C13H7BrCl2N4O2/c14-8-4-2-1-3-7(8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2
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n/an/an/an/a 3.15E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46973
PNG
(MLS001002022 | N-(5-cyclopropyl-1,3,4-thiadiazol-2...)
Show SMILES CN(c1ccc(OCC(=O)Nc2nnc(s2)C2CC2)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H22N4O4S2/c1-14-3-11-18(12-4-14)31(27,28)25(2)16-7-9-17(10-8-16)29-13-19(26)22-21-24-23-20(30-21)15-5-6-15/h3-4,7-12,15H,5-6,13H2,1-2H3,(H,22,24,26)
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n/an/an/an/a 4.38E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46990
PNG
(MLS000861359 | N-(2,4-dichlorophenyl)-N-ethyl-6-me...)
Show SMILES CCN(C(=O)c1cnc(OC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2F3N2O2/c1-3-23(13-5-4-9(17)6-12(13)18)15(24)10-8-22-14(25-2)7-11(10)16(19,20)21/h4-8H,3H2,1-2H3
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n/an/an/an/a 4.59E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46995
PNG
(4-fluoranyl-N-(2-piperidin-1-ylphenyl)benzenesulfo...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1N1CCCCC1
Show InChI InChI=1S/C17H19FN2O2S/c18-14-8-10-15(11-9-14)23(21,22)19-16-6-2-3-7-17(16)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
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n/an/an/an/a 3.27E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46837
PNG
(MLS000065718 | N-(4,5-dimethyl-1,3-thiazol-2-yl)-1...)
Show SMILES Cc1nc(NC(=O)c2csc3ccccc23)sc1C
Show InChI InChI=1S/C14H12N2OS2/c1-8-9(2)19-14(15-8)16-13(17)11-7-18-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,15,16,17)
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n/an/an/an/a 8.95E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46842
PNG
(3,4-dimethyl-2-(4-morpholinylmethyl)-6-(1-phenylet...)
Show SMILES CC(c1ccccc1)c1cc(C)c(C)c(CN2CCOCC2)c1O
Show InChI InChI=1S/C21H27NO2/c1-15-13-19(17(3)18-7-5-4-6-8-18)21(23)20(16(15)2)14-22-9-11-24-12-10-22/h4-8,13,17,23H,9-12,14H2,1-3H3
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n/an/an/an/a 5.07E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46851
PNG
(2,3,4-trimethoxy-N-[4-(2-methylpiperidin-1-yl)sulf...)
Show SMILES COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2C)c(OC)c1OC
Show InChI InChI=1S/C22H28N2O6S/c1-15-7-5-6-14-24(15)31(26,27)17-10-8-16(9-11-17)23-22(25)18-12-13-19(28-2)21(30-4)20(18)29-3/h8-13,15H,5-7,14H2,1-4H3,(H,23,25)
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n/an/an/an/a 1.78E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46854
PNG
(1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-qui...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
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n/an/an/an/a 3.58E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46866
PNG
(MLS000549974 | N-(3,5-dimethylphenyl)-N-(2-keto-2-...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O4S/c1-16-12-17(2)14-18(13-16)22(15-20(23)21-8-10-26-11-9-21)27(24,25)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3
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n/an/an/an/a 3.71E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46870
PNG
(4-nitro-N-[1-oxidanylidene-3-(phenylmethylsulfanyl...)
Show SMILES CC(C)Oc1ccc(C=NNC(=O)C(CSCc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C27H28N4O5S/c1-19(2)36-24-14-8-20(9-15-24)16-28-30-27(33)25(18-37-17-21-6-4-3-5-7-21)29-26(32)22-10-12-23(13-11-22)31(34)35/h3-16,19,25H,17-18H2,1-2H3,(H,29,32)(H,30,33)
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n/an/an/an/a 342n/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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46875
PNG
(1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-...)
Show SMILES CCCCn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C18H23NO3S/c1-5-6-11-19-15(4)12-14(3)17(18(19)20)23(21,22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3
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n/an/an/an/a 3.78E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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

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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46915
PNG
(MLS000579931 | N-[5-(1-azepanylsulfonyl)-2-methoxy...)
Show SMILES COc1ccc(cc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C21H28N2O5S2/c1-17-8-10-18(11-9-17)29(24,25)22(2)20-16-19(12-13-21(20)28-3)30(26,27)23-14-6-4-5-7-15-23/h8-13,16H,4-7,14-15H2,1-3H3
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n/an/an/an/a 6.70E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46916
PNG
(2-[5-(4-Fluoro-phenyl)-1-propyl-1H-imidazol-2-ylsu...)
Show SMILES CCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O3S2/c1-2-14-30-23(19-6-8-20(26)9-7-19)17-27-25(30)34-18-24(31)28-21-10-12-22(13-11-21)35(32,33)29-15-4-3-5-16-29/h6-13,17H,2-5,14-16,18H2,1H3,(H,28,31)
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n/an/an/an/a 1.71E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46919
PNG
(1-(4-Methyl-3-nitro-benzenesulfonyl)-azepane | 1-(...)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C13H18N2O4S/c1-11-6-7-12(10-13(11)15(16)17)20(18,19)14-8-4-2-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3
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n/an/an/an/a 5.29E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46926
PNG
(MLS000409304 | N-(5-tert-butyl-2-methoxy-phenyl)-5...)
Show SMILES COc1ccc(cc1NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C24H33N3O4S/c1-24(2,3)17-9-12-22(31-6)20(15-17)25-23(28)19-16-18(32(29,30)26(4)5)10-11-21(19)27-13-7-8-14-27/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,25,28)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46933
PNG
(MLS000707608 | N-(4-ethoxy-2-nitro-phenyl)-2-[(4-f...)
Show SMILES CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18FN3O6S/c1-2-31-15-9-12-19(20(13-15)25(27)28)23-21(26)17-5-3-4-6-18(17)24-32(29,30)16-10-7-14(22)8-11-16/h3-13,24H,2H2,1H3,(H,23,26)
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n/an/an/an/a 5.29E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46936
PNG
(5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-e...)
Show SMILES Cc1cc(C)c(C2=NOC3C4CCC(C4)C23)c(C)c1
Show InChI InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
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n/an/an/an/a 1.77E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46942
PNG
(1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonylpiperidine...)
Show SMILES CCOc1ccc(c(C)c1C)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H23NO3S/c1-4-19-14-8-9-15(13(3)12(14)2)20(17,18)16-10-6-5-7-11-16/h8-9H,4-7,10-11H2,1-3H3
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n/an/an/an/a 1.43E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46947
PNG
(4-methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-piper...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(C)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O4S/c1-10-5-7-14(8-6-10)20(18,19)13-4-3-11(2)9-12(13)15(16)17/h3-4,9-10H,5-8H2,1-2H3
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n/an/an/an/a 3.83E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46958
PNG
(MLS000713251 | N-(5-chloranyl-2-methoxy-phenyl)-N-...)
Show SMILES COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
Show InChI InChI=1S/C15H21ClN2O4S/c1-22-14-7-6-12(16)10-13(14)18(23(2,20)21)11-15(19)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/an/an/a 2.38E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46962
PNG
(2-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]...)
Show SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccccn1)N1C(=O)C2C3CC(C=C3)C2C1=O
Show InChI InChI=1S/C24H23N5O4/c30-23-21-15-4-5-16(13-15)22(21)24(31)28(23)17-6-7-18(19(14-17)29(32)33)26-9-11-27(12-10-26)20-3-1-2-8-25-20/h1-8,14-16,21-22H,9-13H2
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46976
PNG
(6-Chloro-7-(toluene-4-sulfonyl)-bicyclo[3.1.1]hept...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C1C2CCCC1C2Cl
Show InChI InChI=1S/C14H17ClO2S/c1-9-5-7-10(8-6-9)18(16,17)14-11-3-2-4-12(14)13(11)15/h5-8,11-14H,2-4H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46981
PNG
(1-(5-Bromo-6-chloro-pyridine-3-sulfonyl)-2,3-dihyd...)
Show SMILES Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H10BrClN2O2S/c14-11-7-10(8-16-13(11)15)20(18,19)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6H2
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n/an/an/an/a 7.71E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46993
PNG
(5-methyl-3-phenyl-4-(2-tosylpyrazol-3-yl)isoxazole...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-18(12-13-21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
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n/an/an/an/a 819n/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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46850
PNG
(1-(2-naphthalenylsulfonyl)piperidine | 1-(2-naphth...)
Show SMILES O=S(=O)(N1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H17NO2S/c17-19(18,16-10-4-1-5-11-16)15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2
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n/an/an/an/a 1.51E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46855
PNG
(2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2...)
Show SMILES CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccccc2)c2ccc(C)cc12
Show InChI InChI=1S/C23H23N3O2S/c1-15-10-11-19-18(12-15)16(2)13-23(3,4)26(19)20(27)14-29-22-25-24-21(28-22)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3
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n/an/an/an/a 4.18E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM42978
PNG
((Z)-2-cyano-4-(1-prop-2-enyl-4-pyridinylidene)-2-b...)
Show SMILES CCOC(=O)C(=C/C=C1C=CN(CC=C)C=C1)\C#N
Show InChI InChI=1S/C15H16N2O2/c1-3-9-17-10-7-13(8-11-17)5-6-14(12-16)15(18)19-4-2/h3,5-8,10-11H,1,4,9H2,2H3/b14-6-
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n/an/an/an/a 1.53E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46861
PNG
(1-(2,4-Dichloro-5-methyl-benzenesulfonyl)-azepane ...)
Show SMILES Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C13H17Cl2NO2S/c1-10-8-13(12(15)9-11(10)14)19(17,18)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3
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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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46867
PNG
(1-(benzenesulfonyl)-3-methyl-5-[(phenylmethyl)amin...)
Show SMILES CCOC(=O)c1c(C)nn(c1NCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O4S/c1-3-27-20(24)18-15(2)22-23(28(25,26)17-12-8-5-9-13-17)19(18)21-14-16-10-6-4-7-11-16/h4-13,21H,3,14H2,1-2H3
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n/an/an/an/a 2.36E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46868
PNG
(5-chloranyl-N,N-diethyl-4-methyl-2-propoxy-benzene...)
Show SMILES CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
Show InChI InChI=1S/C14H22ClNO3S/c1-5-8-19-13-9-11(4)12(15)10-14(13)20(17,18)16(6-2)7-3/h9-10H,5-8H2,1-4H3
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n/an/an/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46873
PNG
(1-Benzyl-3-(4-benzyl-piperazin-1-yl)-4-chloro-pyrr...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H22ClN3O2/c23-19-20(22(28)26(21(19)27)16-18-9-5-2-6-10-18)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10H,11-16H2
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n/an/an/an/a 5.29E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46906
PNG
(3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methox...)
Show SMILES COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C21H21ClN2O5S2/c1-15-4-8-17(9-5-15)23-30(25,26)19-12-13-21(29-3)20(14-19)24(2)31(27,28)18-10-6-16(22)7-11-18/h4-14,23H,1-3H3
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n/an/an/an/a 6.67E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46913
PNG
(2,4,6-trimethyl-N-(2-phenylphenyl)benzenesulfonami...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H21NO2S/c1-15-13-16(2)21(17(3)14-15)25(23,24)22-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14,22H,1-3H3
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n/an/an/an/a 5.34E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46928
PNG
((2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylam...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2N2O7S/c1-12(2)20(21(27)32-11-18(26)24-15-5-3-4-14(22)19(15)23)25-33(28,29)13-6-7-16-17(10-13)31-9-8-30-16/h3-7,10,12,20,25H,8-9,11H2,1-2H3,(H,24,26)/t20-/m0/s1
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n/an/an/an/a 3.69E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46930
PNG
((2S)-2-(benzenesulfonamido)-3-methyl-butyric acid ...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C25H26N2O5S2/c1-18(2)24(27-34(30,31)20-13-7-4-8-14-20)25(29)32-17-23(28)26-21-15-9-10-16-22(21)33-19-11-5-3-6-12-19/h3-16,18,24,27H,17H2,1-2H3,(H,26,28)/t24-/m0/s1
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n/an/an/an/a 3.96E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46956
PNG
(1-[2-(N-mesyl-4-phenoxy-anilino)propanoyl]isonipec...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N2O6S/c1-4-31-24(28)19-14-16-25(17-15-19)23(27)18(2)26(33(3,29)30)20-10-12-22(13-11-20)32-21-8-6-5-7-9-21/h5-13,18-19H,4,14-17H2,1-3H3
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n/an/an/an/a 6.80E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46983
PNG
(3-(3,4-dimethoxyphenethyl)-2-[(4-isopropylphenyl)i...)
Show SMILES COc1ccc(CCN2C(=O)CS\C2=N/c2ccc(cc2)C(C)C)cc1OC
Show InChI InChI=1S/C22H26N2O3S/c1-15(2)17-6-8-18(9-7-17)23-22-24(21(25)14-28-22)12-11-16-5-10-19(26-3)20(13-16)27-4/h5-10,13,15H,11-12,14H2,1-4H3/b23-22-
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46987
PNG
(MLS000859158 | N-[2-bromanyl-4-(4-chlorophenyl)sul...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1csc(Br)c1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H10BrCl2NO3S2/c18-16-15(21-17(22)12-3-1-2-4-13(12)20)14(9-25-16)26(23,24)11-7-5-10(19)6-8-11/h1-9H,(H,21,22)
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n/an/an/an/a>3.32E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46991
PNG
(3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
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n/an/an/an/a 325n/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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46840
PNG
(1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-methyl-p...)
Show SMILES COc1ccc(cc1Br)S(=O)(=O)N1CCC(C)CC1
Show InChI InChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3
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n/an/an/an/a 1.82E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46846
PNG
(1-(5-chloranylthiophen-2-yl)sulfonyl-4-(2-ethoxyph...)
Show SMILES CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C16H19ClN2O3S2/c1-2-22-14-6-4-3-5-13(14)18-9-11-19(12-10-18)24(20,21)16-8-7-15(17)23-16/h3-8H,2,9-12H2,1H3
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n/an/an/an/a 8.16E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/an/an/a 1.59E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46920
PNG
(MLS000548236 | N-[2,6-dimethyl-3-[4-(2-methylallyl...)
Show SMILES CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(CC(C)=C)CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H33N3O4S2/c1-18(2)17-26-13-15-27(16-14-26)33(30,31)23-12-9-20(4)24(21(23)5)25(6)32(28,29)22-10-7-19(3)8-11-22/h7-12H,1,13-17H2,2-6H3
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n/an/an/an/a 2.76E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46922
PNG
(2,3-Diphenyl-quinoxaline-6-carboxylic acid diisopr...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O/c1-18(2)30(19(3)4)27(31)22-15-16-23-24(17-22)29-26(21-13-9-6-10-14-21)25(28-23)20-11-7-5-8-12-20/h5-19H,1-4H3
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n/an/an/an/a 1.52E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46935
PNG
(2-[[2-[(2S)-3-methyl-2-(tosylamino)butanoyl]oxyace...)
Show SMILES COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2CCCc12
Show InChI InChI=1S/C23H28N2O7S2/c1-13(2)20(25-34(29,30)15-10-8-14(3)9-11-15)23(28)32-12-18(26)24-21-19(22(27)31-4)16-6-5-7-17(16)33-21/h8-11,13,20,25H,5-7,12H2,1-4H3,(H,24,26)/t20-/m0/s1
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n/an/an/an/a 2.80E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46941
PNG
(MLS000621568 | N-cyclohexyl-5-methoxy-N,2,4-trimet...)
Show SMILES COc1cc(c(C)cc1C)S(=O)(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C16H25NO3S/c1-12-10-13(2)16(11-15(12)20-4)21(18,19)17(3)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3
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n/an/an/an/a 3.06E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46943
PNG
(1-(3-bromanyl-4-methoxy-phenyl)sulfonylazepane | 1...)
Show SMILES COc1ccc(cc1Br)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C13H18BrNO3S/c1-18-13-7-6-11(10-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
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n/an/an/an/a 2.67E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46951
PNG
(2-ethyl-1-(2-nitrophenyl)sulfonyl-piperidine | 2-e...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O4S/c1-2-11-7-5-6-10-14(11)20(18,19)13-9-4-3-8-12(13)15(16)17/h3-4,8-9,11H,2,5-7,10H2,1H3
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n/an/an/an/a 6.06E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46957
PNG
(1-(2-methoxy-4-methyl-phenyl)sulfonylazepane | 1-(...)
Show SMILES COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C14H21NO3S/c1-12-7-8-14(13(11-12)18-2)19(16,17)15-9-5-3-4-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/an/an/a 2.84E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46961
PNG
(1-[1,1-bis(chloranyl)-3-(1,3-dithiolan-2-ylidene)-...)
Show SMILES CC1CCCC(C)N1C(=C(Cl)Cl)C(=C1SCCS1)[N+]([O-])=O
Show InChI InChI=1S/C13H18Cl2N2O2S2/c1-8-4-3-5-9(2)16(8)10(12(14)15)11(17(18)19)13-20-6-7-21-13/h8-9H,3-7H2,1-2H3
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n/an/an/an/a 6.91E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46968
PNG
(3-cyano-N-cyclohexyl-N-methyl-benzenesulfonamide |...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C14H18N2O2S/c1-16(13-7-3-2-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8H2,1H3
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n/an/an/an/a 3.58E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46969
PNG
(2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenox...)
Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H25ClN2O5S/c1-27(33(29,30)23-13-5-19(25)6-14-23)20-7-11-22(12-8-20)32-17-24(28)26-16-15-18-3-9-21(31-2)10-4-18/h3-14H,15-17H2,1-2H3,(H,26,28)
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n/an/an/an/a 6.34E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46975
PNG
(2-(2,2-dimethylcoumaran-7-yl)oxy-5-piperidinosulfo...)
Show SMILES CC1(C)Cc2cccc(Oc3ccc(cn3)S(=O)(=O)N3CCCCC3)c2O1
Show InChI InChI=1S/C20H24N2O4S/c1-20(2)13-15-7-6-8-17(19(15)26-20)25-18-10-9-16(14-21-18)27(23,24)22-11-4-3-5-12-22/h6-10,14H,3-5,11-13H2,1-2H3
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n/an/an/an/a 9.27E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46980
PNG
(3,4-Dimethoxy-N-[N'-(5-methyl-3-phenyl-isoxazo...)
Show SMILES COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C21H20N4O5S/c1-12-17(18(25-30-12)13-7-5-4-6-8-13)20(27)23-24-21(31)22-19(26)14-9-10-15(28-2)16(11-14)29-3/h4-11H,1-3H3,(H,23,27)(H2,22,24,26,31)
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n/an/an/an/a 7.51E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46849
PNG
(4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-N-(phenylmet...)
Show SMILES Cc1cc(C)n(n1)-c1nc(C)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C16H18N6/c1-11-9-12(2)22(21-11)16-19-13(3)18-15(20-16)17-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,17,18,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46852
PNG
(2-(2-methylphenoxy)-N-(2-morpholin-4-ylphenyl)acet...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C19H22N2O3/c1-15-6-2-5-9-18(15)24-14-19(22)20-16-7-3-4-8-17(16)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
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n/an/an/an/a 5.08E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46863
PNG
(1-(4-Ethoxy-naphthalene-1-sulfonyl)-azepane | 1-(4...)
Show SMILES CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-2-22-17-11-12-18(16-10-6-5-9-15(16)17)23(20,21)19-13-7-3-4-8-14-19/h5-6,9-12H,2-4,7-8,13-14H2,1H3
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n/an/an/an/a 1.03E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46864
PNG
(4-N-[(3-methoxyphenyl)methyl]-1-N,1-N-dimethyl-4-N...)
Show SMILES COc1cccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C21H28N2O6S2/c1-22(2)30(24,25)20-9-11-21(12-10-20)31(26,27)23(16-19-8-5-13-29-19)15-17-6-4-7-18(14-17)28-3/h4,6-7,9-12,14,19H,5,8,13,15-16H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
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



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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46904
PNG
(2-({2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydr...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H22N2O4S/c1-17-10-12-19(13-11-17)32(30,31)27-15-14-18-6-2-3-7-20(18)23(27)16-26-24(28)21-8-4-5-9-22(21)25(26)29/h2-13,23H,14-16H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46905
PNG
(4-chloranyl-N-(2,4-dimethyl-5-piperidin-1-ylsulfon...)
Show SMILES CN(c1cc(c(C)cc1C)S(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN2O4S2/c1-15-13-16(2)20(29(26,27)23-11-5-4-6-12-23)14-19(15)22(3)28(24,25)18-9-7-17(21)8-10-18/h7-10,13-14H,4-6,11-12H2,1-3H3
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n/an/an/an/a 1.37E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46914
PNG
(MLS000579858 | N-[5-(1-azepanylsulfonyl)-2-methoxy...)
Show SMILES COc1ccc(cc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H26N2O5S2/c1-21(28(23,24)17-10-6-5-7-11-17)19-16-18(12-13-20(19)27-2)29(25,26)22-14-8-3-4-9-15-22/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3
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n/an/an/an/a 3.92E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46925
PNG
(2-Fluoro-benzoic acid N'-(2-hydroxy-2,2-diphen...)
Show SMILES OC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H21FN2O3/c28-24-19-11-10-18-23(24)25(31)30(22-16-8-3-9-17-22)29-26(32)27(33,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,33H,(H,29,32)
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n/an/an/an/a 1.04E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46927
PNG
(2,4-dimethyl-N-[2-(4-morpholinyl)-5-(trifluorometh...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O3S/c1-13-3-6-18(14(2)11-13)28(25,26)23-16-12-15(19(20,21)22)4-5-17(16)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
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n/an/an/an/a 2.48E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46940
PNG
(MLS000723969 | N-(2-bromanyl-4-methyl-phenyl)-1-(4...)
Show SMILES Cc1ccc(NC(=O)c2cnc(N3CCN(CC3)c3ccccn3)c3ccccc23)c(Br)c1
Show InChI InChI=1S/C26H24BrN5O/c1-18-9-10-23(22(27)16-18)30-26(33)21-17-29-25(20-7-3-2-6-19(20)21)32-14-12-31(13-15-32)24-8-4-5-11-28-24/h2-11,16-17H,12-15H2,1H3,(H,30,33)
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n/an/an/an/a 4.96E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46946
PNG
(1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]...)
Show SMILES CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H26N2O4S/c1-7-8-16(22)25-18-17(14(3)20-21(18)19(4,5)6)26(23,24)15-11-9-13(2)10-12-15/h9-12H,7-8H2,1-6H3
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n/an/an/an/a 2.31E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46953
PNG
(1-(2-naphthalenylsulfonyl)azepane | 1-(2-naphthyls...)
Show SMILES O=S(=O)(N1CCCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO2S/c18-20(19,17-11-5-1-2-6-12-17)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2
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n/an/an/an/a 1.71E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46959
PNG
(6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfony...)
Show SMILES CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46963
PNG
(3,3-bis(fluoranyl)-4-(2-fluorophenyl)-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1C(c2ccccc2F)C(F)(F)C1=O
Show InChI InChI=1S/C16H12F3NO2/c1-22-11-8-6-10(7-9-11)20-14(16(18,19)15(20)21)12-4-2-3-5-13(12)17/h2-9,14H,1H3
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n/an/an/an/a 3.96E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46972
PNG
(MLS000775212 | N-[4-(diethylamino)phenyl]-2-[4-[me...)
Show SMILES CCN(CC)c1ccc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H27N3O4S2/c1-4-26(5-2)20-10-8-18(9-11-20)24-22(27)17-30-21-14-12-19(13-15-21)25(3)32(28,29)23-7-6-16-31-23/h6-16H,4-5,17H2,1-3H3,(H,24,27)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46982
PNG
(MLS000830750 | N-[3-(5-{[2-(4-methoxyphenyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(=O)CSc1nnn(n1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C18H17N5O3S/c1-12(24)19-14-4-3-5-15(10-14)23-21-18(20-22-23)27-11-17(25)13-6-8-16(26-2)9-7-13/h3-10H,11H2,1-2H3,(H,19,24)
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n/an/an/an/a 1.73E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46985
PNG
((2-piperidin-1-ylphenyl) benzenesulfonate | 2-pipe...)
Show SMILES O=S(=O)(Oc1ccccc1N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H19NO3S/c19-22(20,15-9-3-1-4-10-15)21-17-12-6-5-11-16(17)18-13-7-2-8-14-18/h1,3-6,9-12H,2,7-8,13-14H2
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46988
PNG
(2-(4-besyl-1,4-diazepan-1-yl)-4-(trifluoromethyl)p...)
Show SMILES COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19F3N4O4S/c1-29-16(26)14-12-22-17(23-15(14)18(19,20)21)24-8-5-9-25(11-10-24)30(27,28)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46989
PNG
(4-(4-piperidinosulfonylphenyl)-5-(trifluoromethyl)...)
Show SMILES COC(=O)c1cc(c(s1)C(F)(F)F)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H18F3NO4S2/c1-26-17(23)15-11-14(16(27-15)18(19,20)21)12-5-7-13(8-6-12)28(24,25)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46992
PNG
(3-(4-chlorophenyl)-5-methyl-4-(1-{[3-(trifluoromet...)
Show SMILES Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13ClF3N3O3S/c1-12-18(19(26-30-12)13-5-7-15(21)8-6-13)17-9-10-25-27(17)31(28,29)16-4-2-3-14(11-16)20(22,23)24/h2-11H,1H3
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n/an/an/an/a 4.26E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
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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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
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 3.39E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46862
PNG
(1-(2-methylphenyl)-4-(phenylsulfonyl)piperazine | ...)
Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)22(20,21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
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n/an/an/an/a 5.11E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46869
PNG
(4-methyl-N-(3-methylphenyl)-N-(2-oxidanylidene-2-p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1
Show InChI InChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)23(19-8-6-7-18(2)15-19)16-21(24)22-13-4-3-5-14-22/h6-12,15H,3-5,13-14,16H2,1-2H3
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n/an/an/an/a 1.24E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46871
PNG
(MLS000547894 | N-(2,5-dimethoxyphenyl)-3,4-dimetho...)
Show SMILES COc1ccc(OC)c(c1)N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N2O7S/c1-29-17-8-10-20(30-2)19(14-17)25(16-23(26)24-12-6-5-7-13-24)33(27,28)18-9-11-21(31-3)22(15-18)32-4/h8-11,14-15H,5-7,12-13,16H2,1-4H3
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n/an/an/an/a 1.67E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
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)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46902
PNG
(3-(2,6-dimethylphenyl)sulfonyl-2-isobutoxy-4,6-dim...)
Show SMILES CC(C)COc1nc(C)cc(C)c1S(=O)(=O)c1c(C)cccc1C
Show InChI InChI=1S/C19H25NO3S/c1-12(2)11-23-19-18(15(5)10-16(6)20-19)24(21,22)17-13(3)8-7-9-14(17)4/h7-10,12H,11H2,1-6H3
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n/an/an/an/a 4.35E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46907
PNG
(2-(1-azepanyl)-N,N-dimethyl-5-nitrobenzenesulfonam...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1N1CCCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C14H21N3O4S/c1-15(2)22(20,21)14-11-12(17(18)19)7-8-13(14)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/an/an/a 1.01E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46910
PNG
(MLS000574252 | N-[2,4-dimethyl-5-(4-methylpiperidi...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
Show InChI InChI=1S/C22H30N2O4S2/c1-16-6-8-20(9-7-16)29(25,26)23(5)21-15-22(19(4)14-18(21)3)30(27,28)24-12-10-17(2)11-13-24/h6-9,14-15,17H,10-13H2,1-5H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46911
PNG
(3-(1-naphthalenylmethyl)-1,3-benzothiazol-3-ium;br...)
Show SMILES C(c1cccc2ccccc12)[n+]1csc2ccccc12
Show InChI InChI=1S/C18H14NS/c1-2-9-16-14(6-1)7-5-8-15(16)12-19-13-20-18-11-4-3-10-17(18)19/h1-11,13H,12H2/q+1
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46931
PNG
(MLS000393911 | N-(4-naphthalen-2-yl-1,3-thiazol-2-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H21N3O3S3/c27-22(17-9-11-26(12-10-17)32(28,29)21-6-3-13-30-21)25-23-24-20(15-31-23)19-8-7-16-4-1-2-5-18(16)14-19/h1-8,13-15,17H,9-12H2,(H,24,25,27)
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n/an/an/an/a 1.42E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46934
PNG
(3-[cyclohexyl(methyl)sulfamoyl]benzoic acid [2-ket...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H32N2O5S/c1-28(21-12-3-2-4-13-21)34(31,32)22-14-7-11-20(17-22)26(30)33-18-25(29)27-24-16-8-10-19-9-5-6-15-23(19)24/h5-7,9,11,14-15,17,21,24H,2-4,8,10,12-13,16,18H2,1H3,(H,27,29)
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n/an/an/an/a 2.86E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46939
PNG
(2-[(N''E)-N''-(4-bromobenzylidene)hydrazino]thiazo...)
Show SMILES OC(=O)c1csc(N=NCc2ccc(Br)cc2)n1
Show InChI InChI=1S/C11H8BrN3O2S/c12-8-3-1-7(2-4-8)5-13-15-11-14-9(6-18-11)10(16)17/h1-4,6H,5H2,(H,16,17)
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46945
PNG
(1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)pi...)
Show SMILES Cc1ccc(N2CCN(CC2)S(=O)(=O)N2CCCCC2)c(C)c1
Show InChI InChI=1S/C17H27N3O2S/c1-15-6-7-17(16(2)14-15)18-10-12-20(13-11-18)23(21,22)19-8-4-3-5-9-19/h6-7,14H,3-5,8-13H2,1-2H3
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n/an/an/an/a 1.43E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46954
PNG
(2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylan...)
Show SMILES COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H18ClNO5S/c1-12-4-7-14(8-5-12)25(21,22)19(11-17(20)24-3)15-10-13(18)6-9-16(15)23-2/h4-10H,11H2,1-3H3
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n/an/an/an/a 3.49E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46966
PNG
(2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperazinyl)-...)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccccc1C)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C25H34N4O4S/c1-20-8-4-5-9-24(20)33-19-25(30)26-22-18-21(34(31,32)29-12-6-3-7-13-29)10-11-23(22)28-16-14-27(2)15-17-28/h4-5,8-11,18H,3,6-7,12-17,19H2,1-2H3,(H,26,30)
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n/an/an/an/a 5.43E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46967
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloranyl-5...)
Show SMILES COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1c(C)noc1C
Show InChI InChI=1S/C21H21ClN2O6S/c1-13-17(14(2)30-23-13)12-29-21(25)16-11-15(9-10-18(16)22)31(26,27)24(3)19-7-5-6-8-20(19)28-4/h5-11H,12H2,1-4H3
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n/an/an/an/a 3.01E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46978
PNG
(MLS001029917 | SMR000426872 | [(2-methyl-4-oxidany...)
Show SMILES CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
Show InChI InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
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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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46984
PNG
(6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.2.1]octa...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2CC1CCC2
Show InChI InChI=1S/C14H19NO2S/c1-11-5-7-14(8-6-11)18(16,17)15-10-12-3-2-4-13(15)9-12/h5-8,12-13H,2-4,9-10H2,1H3
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n/an/an/an/a 3.78E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46994
PNG
(MLS000850372 | N-(2-piperidin-1-ylphenyl)thiophene...)
Show SMILES O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1
Show InChI InChI=1S/C15H18N2O2S2/c18-21(19,15-9-6-12-20-15)16-13-7-2-3-8-14(13)17-10-4-1-5-11-17/h2-3,6-9,12,16H,1,4-5,10-11H2
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n/an/an/an/a 2.30E+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)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%