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Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with Target = 'NLRP3 protein'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NLRP3 protein


(Homo sapiens)
BDBM50653
PNG
((3Z)-3-[(2-chloranyl-4-nitro-phenyl)hydrazinyliden...)
Show SMILES [O-][N+](=O)c1ccc(\[NH+]=N\c2ccc(=O)[c-](c2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2N4O4/c20-11-2-1-3-12(8-11)22-19(27)15-9-13(4-7-18(15)26)23-24-17-6-5-14(25(28)29)10-16(17)21/h1-10H,(H,22,27)/q-1/p+1/b24-23+
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n/an/a 566n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM58587
PNG
(1-methyl-N'-(3-methylphenyl)carbonyl-2-oxidanyl-4-...)
Show SMILES Cc1cccc(c1)C(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
Show InChI InChI=1S/C19H17N3O4/c1-11-6-5-7-12(10-11)17(24)20-21-18(25)15-16(23)13-8-3-4-9-14(13)22(2)19(15)26/h3-10,23H,1-2H3,(H,20,24)(H,21,25)
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n/an/a 640n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76296
PNG
(4-Methoxy-5-acetoxy-canthin-6-one | MLS000574971 |...)
Show SMILES COc1c(OC(C)=O)c(=O)n2c3ccccc3c3ccnc1c23
Show InChI InChI=1S/C17H12N2O4/c1-9(20)23-16-15(22-2)13-14-11(7-8-18-13)10-5-3-4-6-12(10)19(14)17(16)21/h3-8H,1-2H3
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n/an/a 665n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM25730
PNG
(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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n/an/a 805n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76289
PNG
(MLS001249435 | SMR000718656 | [2-[(4-chlorophenyl)...)
Show SMILES CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)
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n/an/a 813n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76281
PNG
(5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]...)
Show SMILES C1COC2C(C1)C(Nc1ccccc21)c1ccccc1
Show InChI InChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,15,17-19H,6,10,12H2
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n/an/a 881n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM58587
PNG
(1-methyl-N'-(3-methylphenyl)carbonyl-2-oxidanyl-4-...)
Show SMILES Cc1cccc(c1)C(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
Show InChI InChI=1S/C19H17N3O4/c1-11-6-5-7-12(10-11)17(24)20-21-18(25)15-16(23)13-8-3-4-9-14(13)22(2)19(15)26/h3-10,23H,1-2H3,(H,20,24)(H,21,25)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76294
PNG
(3-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2...)
Show SMILES Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O4S2/c24-19-8-4-9-20-22(19)25-23(32-20)27(12-5-11-26-13-15-31-16-14-26)21(28)10-17-33(29,30)18-6-2-1-3-7-18/h1-4,6-9H,5,10-17H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76299
PNG
((8-amino-10-phenyl-phenazin-10-ium-2-yl)-diethyl-a...)
Show SMILES CC[N+](CC)=c1ccc2nc3ccc(N)cc3n(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H22N4/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20/h5-15,23H,3-4H2,1-2H3/p+1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76259
PNG
((3Z)-3-[hydroxy-(isopropylamino)methylene]-1H-quin...)
Show SMILES CC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H14N2O3/c1-7(2)14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-7H,1-2H3,(H,14,17)(H2,15,16,18)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM53481
PNG
(1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-fl...)
Show SMILES CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
Show InChI InChI=1S/C11H11FN4OS2/c1-2-18-11-15-10(19-16-11)14-9(17)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM50653
PNG
((3Z)-3-[(2-chloranyl-4-nitro-phenyl)hydrazinyliden...)
Show SMILES [O-][N+](=O)c1ccc(\[NH+]=N\c2ccc(=O)[c-](c2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C19H11Cl2N4O4/c20-11-2-1-3-12(8-11)22-19(27)15-9-13(4-7-18(15)26)23-24-17-6-5-14(25(28)29)10-16(17)21/h1-10H,(H,22,27)/q-1/p+1/b24-23+
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n/an/a 1.34E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76280
PNG
(MLS001001805 | N-(4-methoxyphenyl)-3-phenyl-2-prop...)
Show SMILES COc1ccc(NC(=O)C#Cc2ccccc2)cc1
Show InChI InChI=1S/C16H13NO2/c1-19-15-10-8-14(9-11-15)17-16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3,(H,17,18)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM25730
PNG
(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM58586
PNG
(2-Fluoro-benzoic acid N'-(4-hydroxy-1-methyl-2...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O
Show InChI InChI=1S/C18H14FN3O4/c1-22-13-9-5-3-7-11(13)15(23)14(18(22)26)17(25)21-20-16(24)10-6-2-4-8-12(10)19/h2-9,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76296
PNG
(4-Methoxy-5-acetoxy-canthin-6-one | MLS000574971 |...)
Show SMILES COc1c(OC(C)=O)c(=O)n2c3ccccc3c3ccnc1c23
Show InChI InChI=1S/C17H12N2O4/c1-9(20)23-16-15(22-2)13-14-11(7-8-18-13)10-5-3-4-6-12(10)19(14)17(16)21/h3-8H,1-2H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76289
PNG
(MLS001249435 | SMR000718656 | [2-[(4-chlorophenyl)...)
Show SMILES CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76287
PNG
(3-methylbenzoic acid [(Z)-[1-amino-2-(1-naphthalen...)
Show SMILES Cc1cccc(c1)C(=O)ONC(=N)Cc1cccc2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14-6-4-10-17(12-14)20(23)24-22-19(21)13-16-9-5-8-15-7-2-3-11-18(15)16/h2-12H,13H2,1H3,(H2,21,22)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76287
PNG
(3-methylbenzoic acid [(Z)-[1-amino-2-(1-naphthalen...)
Show SMILES Cc1cccc(c1)C(=O)ONC(=N)Cc1cccc2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14-6-4-10-17(12-14)20(23)24-22-19(21)13-16-9-5-8-15-7-2-3-11-18(15)16/h2-12H,13H2,1H3,(H2,21,22)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76275
PNG
(2-oxidanylidene-2-(2-oxidanylidene-1,3-dihydroindo...)
Show SMILES CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H18N2O3/c1-2-3-6-9-16-15(20)13(18)12-10-7-4-5-8-11(10)17-14(12)19/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,20)(H,17,19)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM75654
PNG
(4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinoca...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM56860
PNG
(2-(2-chlorophenyl)-5-hydroxy-6-nitro-1-benzopyran-...)
Show SMILES Oc1c(ccc2oc(cc(=O)c12)-c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H8ClNO5/c16-9-4-2-1-3-8(9)13-7-11(18)14-12(22-13)6-5-10(15(14)19)17(20)21/h1-7,19H
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n/an/a 1.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM58586
PNG
(2-Fluoro-benzoic acid N'-(4-hydroxy-1-methyl-2...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O
Show InChI InChI=1S/C18H14FN3O4/c1-22-13-9-5-3-7-11(13)15(23)14(18(22)26)17(25)21-20-16(24)10-6-2-4-8-12(10)19/h2-9,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM53481
PNG
(1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-fl...)
Show SMILES CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
Show InChI InChI=1S/C11H11FN4OS2/c1-2-18-11-15-10(19-16-11)14-9(17)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76278
PNG
(2-bromanyl-N-(4-phenylbutyl)benzamide | 2-bromo-N-...)
Show SMILES Brc1ccccc1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C17H18BrNO/c18-16-12-5-4-11-15(16)17(20)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,20)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76294
PNG
(3-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2...)
Show SMILES Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O4S2/c24-19-8-4-9-20-22(19)25-23(32-20)27(12-5-11-26-13-15-31-16-14-26)21(28)10-17-33(29,30)18-6-2-1-3-7-18/h1-4,6-9H,5,10-17H2
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n/an/a 2.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76286
PNG
(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(N-methylani...)
Show SMILES CN(CC(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-19(17-9-3-2-4-10-17)14-18(21)20-12-11-15-7-5-6-8-16(15)13-20/h2-10H,11-14H2,1H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76291
PNG
(MLS001234025 | N-[2-(1-cyclohexenyl)ethyl]-5-hydro...)
Show SMILES Oc1c(C(=O)NCCC2=CCCCC2)c(=O)nc2sccn12
Show InChI InChI=1S/C15H17N3O3S/c19-12(16-7-6-10-4-2-1-3-5-10)11-13(20)17-15-18(14(11)21)8-9-22-15/h4,8-9,21H,1-3,5-7H2,(H,16,19)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76295
PNG
(MLS001234095 | N-[2-(1-cyclohexenyl)ethyl]-5-hydro...)
Show SMILES Cc1csc2nc(=O)c(C(=O)NCCC3=CCCCC3)c(O)n12
Show InChI InChI=1S/C16H19N3O3S/c1-10-9-23-16-18-14(21)12(15(22)19(10)16)13(20)17-8-7-11-5-3-2-4-6-11/h5,9,22H,2-4,6-8H2,1H3,(H,17,20)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM64695
PNG
(6-bromanyl-2-(4-nitrophenyl)-3-oxidanyl-quinazolin...)
Show SMILES On1c(nc2ccc(Br)cc2c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H8BrN3O4/c15-9-3-6-12-11(7-9)14(19)17(20)13(16-12)8-1-4-10(5-2-8)18(21)22/h1-7,20H
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n/an/a 2.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM55354
PNG
(CLOMIPHENE | CLOMIPHENE CITRATE | MLS000069760 | S...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+
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n/an/a 2.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76292
PNG
(5-hydroxy-7-keto-N-(3-phenylpropyl)thiazolo[3,2-a]...)
Show SMILES Oc1c(C(=O)NCCCc2ccccc2)c(=O)nc2sccn12
Show InChI InChI=1S/C16H15N3O3S/c20-13(17-8-4-7-11-5-2-1-3-6-11)12-14(21)18-16-19(15(12)22)9-10-23-16/h1-3,5-6,9-10,22H,4,7-8H2,(H,17,20)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM63116
PNG
(7-chloranyl-3-oxidanyl-2-[3-(trifluoromethyl)pheny...)
Show SMILES On1c(nc2cc(Cl)ccc2c1=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H8ClF3N2O2/c16-10-4-5-11-12(7-10)20-13(21(23)14(11)22)8-2-1-3-9(6-8)15(17,18)19/h1-7,23H
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n/an/a 2.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76274
PNG
(6-chloranyl-2-(4-nitrophenyl)-3-oxidanyl-quinazoli...)
Show SMILES On1c(nc2ccc(Cl)cc2c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H8ClN3O4/c15-9-3-6-12-11(7-9)14(19)17(20)13(16-12)8-1-4-10(5-2-8)18(21)22/h1-7,20H
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n/an/a 2.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76260
PNG
(7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydr...)
Show SMILES CC1CC(=O)c2cnc(Nc3cccc(c3)C(F)(F)F)nc2C1
Show InChI InChI=1S/C16H14F3N3O/c1-9-5-13-12(14(23)6-9)8-20-15(22-13)21-11-4-2-3-10(7-11)16(17,18)19/h2-4,7-9H,5-6H2,1H3,(H,20,21,22)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76275
PNG
(2-oxidanylidene-2-(2-oxidanylidene-1,3-dihydroindo...)
Show SMILES CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H18N2O3/c1-2-3-6-9-16-15(20)13(18)12-10-7-4-5-8-11(10)17-14(12)19/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,20)(H,17,19)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76288
PNG
(MLS001075530 | N-[[(4-propoxybenzoyl)amino]carbamo...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
Show InChI InChI=1S/C16H17N3O3S2/c1-2-9-22-12-7-5-11(6-8-12)14(20)18-19-16(23)17-15(21)13-4-3-10-24-13/h3-8,10H,2,9H2,1H3,(H,18,20)(H2,17,19,21,23)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM37239
PNG
(1-(4-chlorophenyl)-3-(4-cyanophenyl)urea | MLS0001...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,(H2,17,18,19)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM57589
PNG
(4,9-diketo-2-methyl-N-p-anisyl-benzo[f]benzofuran-...)
Show SMILES COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C22H17NO5/c1-12-17(22(26)23-11-13-7-9-14(27-2)10-8-13)18-19(24)15-5-3-4-6-16(15)20(25)21(18)28-12/h3-10H,11H2,1-2H3,(H,23,26)
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n/an/a 3.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76290
PNG
(5-(4-chlorobenzyl)-7-ethyl-4-[4-(2-pyridyl)piperaz...)
Show SMILES CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C24H26ClN7O/c1-2-19-24(33)32(15-17-6-8-18(25)9-7-17)21-22(29-19)27-16-28-23(21)31-13-11-30(12-14-31)20-5-3-4-10-26-20/h3-10,16,19H,2,11-15H2,1H3,(H,27,28,29)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76270
PNG
(1-(4-methylphenyl)sulfonyl-2-(phenylmethylsulfanyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccccc1
Show InChI InChI=1S/C17H18N2O2S2/c1-14-7-9-16(10-8-14)23(20,21)19-12-11-18-17(19)22-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
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n/an/a 3.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76263
PNG
(1-methyl-2-oxidanyl-4-oxidanylidene-N-pyrimidin-2-...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)Nc2ncccn2)c1=O
Show InChI InChI=1S/C15H12N4O3/c1-19-10-6-3-2-5-9(10)12(20)11(14(19)22)13(21)18-15-16-7-4-8-17-15/h2-8,20H,1H3,(H,16,17,18,21)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76300
PNG
(5-(4-bromobenzyl)-7-ethyl-4-[4-(2-pyridyl)piperazi...)
Show SMILES CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C24H26BrN7O/c1-2-19-24(33)32(15-17-6-8-18(25)9-7-17)21-22(29-19)27-16-28-23(21)31-13-11-30(12-14-31)20-5-3-4-10-26-20/h3-10,16,19H,2,11-15H2,1H3,(H,27,28,29)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76290
PNG
(5-(4-chlorobenzyl)-7-ethyl-4-[4-(2-pyridyl)piperaz...)
Show SMILES CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C24H26ClN7O/c1-2-19-24(33)32(15-17-6-8-18(25)9-7-17)21-22(29-19)27-16-28-23(21)31-13-11-30(12-14-31)20-5-3-4-10-26-20/h3-10,16,19H,2,11-15H2,1H3,(H,27,28,29)
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n/an/a 3.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM34195
PNG
(MLS000112706 | N-(3-bromophenyl)-1-benzofuran-2-ca...)
Show SMILES Brc1cccc(NC(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C15H10BrNO2/c16-11-5-3-6-12(9-11)17-15(18)14-8-10-4-1-2-7-13(10)19-14/h1-9H,(H,17,18)
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n/an/a 3.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM37239
PNG
(1-(4-chlorophenyl)-3-(4-cyanophenyl)urea | MLS0001...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,(H2,17,18,19)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 3.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76300
PNG
(5-(4-bromobenzyl)-7-ethyl-4-[4-(2-pyridyl)piperazi...)
Show SMILES CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C24H26BrN7O/c1-2-19-24(33)32(15-17-6-8-18(25)9-7-17)21-22(29-19)27-16-28-23(21)31-13-11-30(12-14-31)20-5-3-4-10-26-20/h3-10,16,19H,2,11-15H2,1H3,(H,27,28,29)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens)
BDBM76291
PNG
(MLS001234025 | N-[2-(1-cyclohexenyl)ethyl]-5-hydro...)
Show SMILES Oc1c(C(=O)NCCC2=CCCCC2)c(=O)nc2sccn12
Show InChI InChI=1S/C15H17N3O3S/c19-12(16-7-6-10-4-2-1-3-5-10)11-13(20)17-15-18(14(11)21)8-9-22-15/h4,8-9,21H,1-3,5-7H2,(H,16,19)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
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