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Compile Data Set for Download or QSAR

Found 271 hits Enz. Inhib. hit(s) with Target = 'MCOLN3 protein'   
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 (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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

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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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 |c:6|
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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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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



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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM44577
PNG
(MLS000028538 | MLS000088404 | N-cyclohexyl-N-ethyl...)
Show SMILES CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
Show InChI InChI=1S/C16H25NO3S/c1-4-17(14-8-6-5-7-9-14)21(18,19)16-12-13(2)10-11-15(16)20-3/h10-12,14H,4-9H2,1-3H3
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n/an/an/an/a 3.39E+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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM44578
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-4-methyl-piper...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C10H14BrNO2S2/c1-8-4-6-12(7-5-8)16(13,14)10-3-2-9(11)15-10/h2-3,8H,4-7H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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 |t:1|
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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 |t:1|
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46859
PNG
((+)-BUTACLAMOL HYDROCHLORIDE | Butaclamol | MLS000...)
Show SMILES Cl.[H][C@@]12C[C@@](O)(CCN1C[C@@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM42978
PNG
((Z)-2-cyano-4-(1-prop-2-enyl-4-pyridinylidene)-2-b...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
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)

More data for this
Ligand-Target Pair
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