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Compile Data Set for Download or QSAR

Found 271 hits of ec50 data for polymerid = 4651   
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)
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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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 (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46774
PNG
(4-tert-butyl-N-[(2-thenoylamino)thiocarbamoyl]benz...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1
Show InChI InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
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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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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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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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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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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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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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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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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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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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
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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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
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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PubChem Bioassay (2009)


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


(Homo sapiens)
BDBM46772
PNG
(4-Bromo-N-[N'-(5-methyl-3-phenyl-isoxazole-4-c...)
Show SMILES Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C19H15BrN4O3S/c1-11-15(16(24-27-11)12-5-3-2-4-6-12)18(26)22-23-19(28)21-17(25)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,22,26)(H2,21,23,25,28)
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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens)
BDBM46786
PNG
((E)-2-(1,3-benzothiazol-2-yl)-3-(2-pyridinyl)-2-pr...)
Show SMILES N#C\C(=C/c1ccccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C15H9N3S/c16-10-11(9-12-5-3-4-8-17-12)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b11-9+
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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)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
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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PubChem Bioassay (2009)


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


(Homo sapiens)
BDBM46781
PNG
((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C
Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1
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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
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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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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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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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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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 1.80E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2W66J7S
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)
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)
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)
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)
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)
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)
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)
BDBM46770
PNG
((2E,5E)-2-[4-(dimethylamino)benzylidene]-5-(2-meth...)
Show SMILES CC(C)C=C1CCC(=Cc2ccc(cc2)N(C)C)C1=O
Show InChI InChI=1S/C18H23NO/c1-13(2)11-15-7-8-16(18(15)20)12-14-5-9-17(10-6-14)19(3)4/h5-6,9-13H,7-8H2,1-4H3
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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/Q22Z13Z2
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)
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)
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)
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
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