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Compile Data Set for Download or QSAR

Found 425 hits Enz. Inhib. hit(s) with all data for entry = 11404   
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
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612380
PNG
(BDBM612514 | BDBM612515 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1coc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

KEGG

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612544
PNG
(341 | BDBM612651 | BDBM612699 | BDBM612700 | US117...)
Show SMILES COCCN(C)Cc1ccc(cc1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612367
PNG
(BDBM612606 | BDBM612607 | N'-((1,2,3,5,6,7-hexahyd...)
Show SMILES CC(C)(O)c1cnc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

KEGG

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612344
PNG
(BDBM612460 | BDBM612461 | N'-(8-fluoro-1,2,3,5,6,7...)
Show SMILES Cc1oc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612316
PNG
(BDBM612403 | BDBM612404 | N'-(4-(difluoromethoxy)-...)
Show SMILES CC(C)c1cc(OC(F)F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1sc(cc1F)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612538
PNG
(329 | BDBM612639 | BDBM612665 | BDBM612666 | US117...)
Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCc2cc2CCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612381
PNG
(BDBM612616 | BDBM612617 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612344
PNG
(BDBM612460 | BDBM612461 | N'-(8-fluoro-1,2,3,5,6,7...)
Show SMILES Cc1oc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612361
PNG
(BDBM612620 | BDBM612621 | N'-((8-fluoro-1,2,3,5,6,...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612339
PNG
(BDBM612451 | BDBM612452 | N'-(4-fluoro-2,6- diisop...)
Show SMILES CC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1cc(cs1)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612377
PNG
(BDBM612516 | BDBM612517 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612378
PNG
(BDBM612518 | BDBM612519 | N'-(8-fluoro-1,2,3,5,6,7...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612358
PNG
(BDBM612488 | BDBM612489 | N'-((8-fluoro-1,2,3,5,6,...)
Show SMILES Cc1nc(sc1S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612380
PNG
(BDBM612514 | BDBM612515 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1coc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612309
PNG
(BDBM612384 | BDBM612385 | N'-(4-fluoro-2,6- diisop...)
Show SMILES CC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1cc(c(C)o1)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612332
PNG
(BDBM612386 | BDBM612387 | N'-(4-cyano-3-fluoro-2,6...)
Show SMILES CC(C)c1cc(C#N)c(F)c(C(C)C)c1NC(=O)N=S(N)(=O)c1cc(c(C)o1)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612368
PNG
(BDBM612494 | BDBM612495 | N'-((4-cyano-2,6- diisop...)
Show SMILES CC(C)c1cc(cc(C(C)C)c1NC(=O)N=S(N)(=O)c1sc(cc1F)C(C)(C)O)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612590
PNG
(5-((Dimethylamino)methyl)- 3-fluoro-N'-(1,2,3,5,6,...)
Show SMILES CN(C)Cc1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612592
PNG
(3-fluoro-5-(2-hydroxy- propan-2-yl)-N'- ((2,4,5,6-...)
Show SMILES CC(C)(O)c1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612300
PNG
(US11724992, Example 1 | US11724992, compound 181)
Show SMILES Cc1oc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612301
PNG
(BDBM612302 | US11724992, Example 2 | US11724992, c...)
Show SMILES Cc1oc(cc1C(C)(C)O)[S@@](N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612311
PNG
(BDBM612393 | BDBM612394 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES Cc1sc(cc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612304
PNG
(BDBM612305 | US11724992, Example 5 | US11724992, c...)
Show SMILES CC(C)(O)c1ncc(s1)[S@](N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12 |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612313
PNG
(BDBM612397 | BDBM612398 | N'-(8-chloro-1,2,3,5,6,7...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(Cl)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612313
PNG
(BDBM612397 | BDBM612398 | N'-(8-chloro-1,2,3,5,6,7...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(Cl)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612331
PNG
(4-(2-hydroxypropan-2-yl)-5-methyl- N'-((1-methyl-1...)
Show SMILES CC1CCc2cc3CCCc3c(NC(=O)N=S(N)(=O)c3cc(c(C)o3)C(C)(C)O)c12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612330
PNG
(4-(2-hydroxypropan-2-yl)-5-methyl- N'-((3-methyl-1...)
Show SMILES CC1CCc2c1cc1CCCc1c2NC(=O)N=S(N)(=O)c1cc(c(C)o1)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612316
PNG
(BDBM612403 | BDBM612404 | N'-(4-(difluoromethoxy)-...)
Show SMILES CC(C)c1cc(OC(F)F)cc(C(C)C)c1NC(=O)N=S(N)(=O)c1sc(cc1F)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612343
PNG
(BDBM612512 | BDBM612513 | N'-(8-fluoro-1,2,3,5,6,7...)
Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612377
PNG
(BDBM612516 | BDBM612517 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612378
PNG
(BDBM612518 | BDBM612519 | N'-(8-fluoro-1,2,3,5,6,7...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612573
PNG
(4-(2-Hydroxypropan-2-yl)- N'-((2,4,5,6-tetrahydro-...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612329
PNG
(3-fluoro-N'-(8-fluoro-1,2,3,5,6,7- hexahydro-s-ind...)
Show SMILES CC(C)(O)c1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612325
PNG
(BDBM612422 | BDBM612423 | N'-(8-cyano-1,2,3,5,6,7-...)
Show SMILES CC(C)(O)c1csc(c1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(C#N)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612352
PNG
(BDBM612476 | BDBM612477 | N'-((1,2,3,5,6,7-hexahyd...)
Show SMILES Cc1nc(sc1S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612574
PNG
(4-(2-Hydroxypropan-2-yl)- N'-((3,5,6,7-tetrahydro-...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCOc12
PDB

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BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612331
PNG
(4-(2-hydroxypropan-2-yl)-5-methyl- N'-((1-methyl-1...)
Show SMILES CC1CCc2cc3CCCc3c(NC(=O)N=S(N)(=O)c3cc(c(C)o3)C(C)(C)O)c12
PDB

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BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612329
PNG
(3-fluoro-N'-(8-fluoro-1,2,3,5,6,7- hexahydro-s-ind...)
Show SMILES CC(C)(O)c1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612601
PNG
(2-(2-Hydroxypropan-2-yl)- N'-((1-methyl-1,2,3,5,6,...)
Show SMILES CC1CCc2c1cc1CCCc1c2NC(=O)N=S(N)(=O)c1cnc(s1)C(C)(C)O
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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612602
PNG
(2-(2-Hydroxypropan-2-yl)- N'-((3-methyl-1,2,3,5,6,...)
Show SMILES CC1CCc2cc3CCCc3c(NC(=O)N=S(N)(=O)c3cnc(s3)C(C)(C)O)c12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612548
PNG
(347 | BDBM612657 | US11724992, Example 236)
Show SMILES NS(=O)(=NC(=O)Nc1c2CCCc2cc2CCCc12)c1ccc(CN2CCCC2)cc1
PDB

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BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612303
PNG
(BDBM612539 | BDBM612540 | BDBM612685 | BDBM612686 ...)
Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612574
PNG
(4-(2-Hydroxypropan-2-yl)- N'-((3,5,6,7-tetrahydro-...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCOc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612576
PNG
(BDBM612669 | BDBM612670 | N'-(1,2,3,5,6,7-hexahydr...)
Show SMILES Cc1sc(nc1C(C)(C)O)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612559
PNG
(BDBM612683 | BDBM612684 | N'-((1,2,3,5,6,7-hexahyd...)
Show SMILES CNS(=O)(=NC(=O)Nc1c2CCCc2cc2CCCc12)c1cnc(s1)C(C)(C)O
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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612590
PNG
(5-((Dimethylamino)methyl)- 3-fluoro-N'-(1,2,3,5,6,...)
Show SMILES CN(C)Cc1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612303
PNG
(BDBM612539 | BDBM612540 | BDBM612685 | BDBM612686 ...)
Show SMILES CC(C)(O)c1ncc(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612580
PNG
(3-Fluoro-N'-(1,2,3,5,6,7- hexahydro-s-indacen-4- y...)
Show SMILES CC(C)(O)c1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2cc2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612361
PNG
(BDBM612620 | BDBM612621 | N'-((8-fluoro-1,2,3,5,6,...)
Show SMILES CC(C)(O)c1csc(n1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM612358
PNG
(BDBM612488 | BDBM612489 | N'-((8-fluoro-1,2,3,5,6,...)
Show SMILES Cc1nc(sc1S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12)C(C)(C)O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q28056RB
More data for this
Ligand-Target Pair
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