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Compile Data Set for Download or QSAR

Found 1017 hits Enz. Inhib. hit(s) with Target = 'neutrophil cytosolic factor 1'   
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
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
PDB
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55631
PNG
((E)-2-cyano-3-[(3E)-3-[4-(diethylamino)benzylidene...)
Show SMILES CCN(CC)c1ccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1
Show InChI InChI=1S/C30H33FN4O2/c1-3-34(4-2)26-13-9-22(10-14-26)19-23-11-12-24(29(23)35-15-17-37-18-16-35)20-25(21-32)30(36)33-28-8-6-5-7-27(28)31/h5-10,13-14,19-20H,3-4,11-12,15-18H2,1-2H3,(H,33,36)/b23-19+,25-20+
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55881
PNG
(2-(3-morpholin-4-ylphenazin-5-ium-5-yl)ethanol;per...)
Show SMILES OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1
Show InChI InChI=1S/C18H20N3O2/c22-10-7-21-17-4-2-1-3-15(17)19-16-6-5-14(13-18(16)21)20-8-11-23-12-9-20/h1-6,13,22H,7-12H2/q+1
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM52827
PNG
((7-amino-8-methyl-3-phenothiazinylidene)-dimethyla...)
Show SMILES Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C
Show InChI InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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n/an/a 390n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50619
PNG
(1,4-bis(azanyl)-9,10-bis(oxidanylidene)anthracene-...)
Show SMILES Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H10N2O4/c16-9-5-8(15(20)21)12(17)11-10(9)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,16-17H2,(H,20,21)
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n/an/a 560n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50637
PNG
(1,4-bis(azanyl)-2,3-dihydroanthracene-9,10-dione |...)
Show SMILES Nc1ccc(N)c2c(O)c3ccccc3c(O)c12
Show InChI InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,17-18H,15-16H2
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n/an/a 680n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55794
PNG
(1-amino-9,10-diketo-anthracene-2-carboxylic acid |...)
Show SMILES Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(O)=O
Show InChI InChI=1S/C15H9NO4/c16-12-10(15(19)20)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2,(H,19,20)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM38875
PNG
(2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...)
Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1
Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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n/an/a 1.52E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50765
PNG
(2-[5-(1-ethyl-2-quinolinylidene)-4-oxo-3-propyl-2-...)
Show SMILES CCCn1c(=O)c(sc1=C(C#N)C#N)=C1C=Cc2ccccc2N1CC
Show InChI InChI=1S/C20H18N4OS/c1-3-11-24-19(25)18(26-20(24)15(12-21)13-22)17-10-9-14-7-5-6-8-16(14)23(17)4-2/h5-10H,3-4,11H2,1-2H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34960
PNG
(2-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-one | 2-(2...)
Show SMILES O=c1n(sc2ccccc12)-c1nccs1
Show InChI InChI=1S/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
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n/an/a 1.58E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM39715
PNG
((4E)-2-(4-fluorophenyl)-4-[(2Z)-2-(1,3,3-trimethyl...)
Show SMILES CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12
Show InChI InChI=1S/C22H19FN2O2/c1-22(2)16-6-4-5-7-18(16)25(3)19(22)13-12-17-21(26)27-20(24-17)14-8-10-15(23)11-9-14/h4-13H,1-3H3/b17-12+,19-13-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55547
PNG
((4Z)-4-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc([CH+]c2c([n-]oc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C20H12N2O5/c23-20-16(19(21-27-20)13-6-2-1-3-7-13)12-14-10-11-18(26-14)15-8-4-5-9-17(15)22(24)25/h1-12H
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n/an/a 2.11E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34791
PNG
(MLS000392355 | N-methyl-2-(4-methylphenyl)-3-pheny...)
Show SMILES CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N3S/c1-12-8-10-14(11-9-12)19-15(18-16(17-2)20-19)13-6-4-3-5-7-13/h3-11H,1-2H3/p+1
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n/an/a 2.44E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55838
PNG
(MLS000562851 | SMR000391154 | YW-YW | cid_16196616)
Show SMILES Cl.NC(Cc1ccc(O)cc1)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C62H72N18O7.ClH/c1-2-28-85-30-32-87-33-31-86-29-19-65-60-68-61(77-24-20-75(21-25-77)58(83)56(38-46-36-44-7-3-5-9-52(44)66-46)79-40-54(71-73-79)50(63)34-42-11-15-48(81)16-12-42)70-62(69-60)78-26-22-76(23-27-78)59(84)57(39-47-37-45-8-4-6-10-53(45)67-47)80-41-55(72-74-80)51(64)35-43-13-17-49(82)18-14-43;/h1,3-18,36-37,40-41,50-51,56-57,66-67,81-82H,19-35,38-39,63-64H2,(H,65,68,69,70);1H
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n/an/a 2.55E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM48708
PNG
(1-cetylpyridin-1-ium-4-carboxamide;bromide | 1-hex...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O
Show InChI InChI=1S/C22H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-21(17-20-24)22(23)25/h16-17,19-20H,2-15,18H2,1H3,(H-,23,25)/p+1
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n/an/a 2.92E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55375
PNG
((4E)-4-[4-(dimethylamino)benzylidene]-5-phenyl-2-[...)
Show SMILES CN(C)c1ccc(\C=C2\C(=O)N(N=C2c2ccccc2)c2nc(cs2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C28H24N4OS/c1-19-9-13-21(14-10-19)25-18-34-28(29-25)32-27(33)24(26(30-32)22-7-5-4-6-8-22)17-20-11-15-23(16-12-20)31(2)3/h4-18H,1-3H3/b24-17+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50120
PNG
(2-methyl-1H-perimidine | MLS000325393 | SMR0001630...)
Show SMILES Cc1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C12H10N2/c1-8-13-10-6-2-4-9-5-3-7-11(14-8)12(9)10/h2-7H,1H3,(H,13,14)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55645
PNG
(MLS000389507 | SMR000255780 | cid_3336580)
Show SMILES CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4C(C)COc5c(N6CCN(C)CC6)c(F)cc(c45)c3=O)cc2)cc1
Show InChI InChI=1S/C33H34FN5O5/c1-4-43-24-11-9-23(10-12-24)35-32(41)21-5-7-22(8-6-21)36-33(42)26-18-39-20(2)19-44-31-28(39)25(30(26)40)17-27(34)29(31)38-15-13-37(3)14-16-38/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,35,41)(H,36,42)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50308
PNG
(1-amino-2-hydroxy-9,10-anthraquinone | 1-amino-2-h...)
Show SMILES Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2
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n/an/a 3.29E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM48713
PNG
(5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(4-bro...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H19Br2N3O4S/c1-3-29-20(28)19-14-8-18(30-11(2)27)15(23)9-16(14)26(17(19)10-31-21(24)25)13-6-4-12(22)5-7-13/h4-9H,3,10H2,1-2H3,(H3,24,25)
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n/an/a 3.31E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM48732
PNG
((1-cetyl-4-pyridylidene)methyl-keto-ammonium;bromi...)
Show SMILES CCCCCCCCCCCCCCCCN1C=CC(=C[NH+]=O)C=C1
Show InChI InChI=1S/C22H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-22(17-20-24)21-23-25/h16-17,19-21H,2-15,18H2,1H3/p+1
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n/an/a 3.46E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55509
PNG
((4Z)-4-[[5-(2-chlorophenyl)-2-furanyl]methylidene]...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2/N=C(OC2=O)c2cccs2)o1
Show InChI InChI=1S/C18H10ClNO3S/c19-13-5-2-1-4-12(13)15-8-7-11(22-15)10-14-18(21)23-17(20-14)16-6-3-9-24-16/h1-10H/b14-10-
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n/an/a 3.48E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55413
PNG
((8E)-2-amino-6-(phenylmethyl)-4-(3-pyridinyl)-8-(3...)
Show SMILES N=C1OC2=C(CN(Cc3ccccc3)CC2=Cc2cccnc2)C(C1C#N)c1cccnc1
Show InChI InChI=1S/C27H23N5O/c28-13-23-25(21-9-5-11-31-15-21)24-18-32(16-19-6-2-1-3-7-19)17-22(26(24)33-27(23)29)12-20-8-4-10-30-14-20/h1-12,14-15,23,25,29H,16-18H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50649
PNG
(2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyri...)
Show SMILES [O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C27H19N7O5/c35-27(32-18-3-1-17(2-4-18)30-19-9-12-28-13-10-19)22-7-5-20(15-26(22)34(38)39)31-25-11-14-29-24-8-6-21(33(36)37)16-23(24)25/h1-16H,(H,28,30)(H,29,31)(H,32,35)
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n/an/a 3.59E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34178
PNG
(6-(2,6-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-y...)
Show SMILES COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
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n/an/a 3.62E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM41826
PNG
(2-[[(4E)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
Show InChI InChI=1S/C22H16N2O5S2/c1-29-22(26)16-9-4-5-10-17(16)23-19-13-18(14-7-2-3-8-15(14)21(19)25)24-31(27,28)20-11-6-12-30-20/h2-13,23H,1H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50671
PNG
(4-[(E)-2-cyano-2-(4-keto-5,6,7,8-tetrahydro-3H-ben...)
Show SMILES OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C20H15N3O3S/c21-10-13(9-11-5-7-12(8-6-11)20(25)26)17-22-18(24)16-14-3-1-2-4-15(14)27-19(16)23-17/h5-9H,1-4H2,(H,25,26)(H,22,23,24)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55708
PNG
(MLS000682559 | N-[2-(4-ethyl-1-piperazinyl)ethyl]-...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1
Show InChI InChI=1S/C32H36N4O2S/c1-3-34-18-20-35(21-19-34)17-16-33-31(37)26-14-12-25(13-15-26)22-30-32(38)36(23-27-9-5-4-8-24(27)2)28-10-6-7-11-29(28)39-30/h4-15,22H,3,16-21,23H2,1-2H3,(H,33,37)/b30-22+
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n/an/a 3.81E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51886
PNG
(2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)
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n/an/a 4.14E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34786
PNG
(3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium...)
Show SMILES Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
Show InChI InChI=1S/C15H13N3S/c1-11-7-9-12(10-8-11)14-17-15(16)19-18(14)13-5-3-2-4-6-13/h2-10,16H,1H3/p+1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM39775
PNG
((5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl...)
Show SMILES CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2OS2/c1-21(2)16-13-11-15(12-14-16)7-6-10-18-19(23)22(20(24)25-18)17-8-4-3-5-9-17/h3-14H,1-2H3/b7-6+,18-10+
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n/an/a 4.19E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a 4.34E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55680
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-34-16-18-35(19-17-34)15-5-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-4-7-26(32)20-24)27-8-2-3-9-28(27)39-29/h2-4,6-13,20-21H,5,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/a 4.42E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55695
PNG
((1Z)-1-[(4-nitroanilino)methylene]naphthalen-2-one...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\[NH+]=C\[c-]1c2ccccc2ccc1=O
Show InChI InChI=1S/C17H11N2O3/c20-17-10-5-12-3-1-2-4-15(12)16(17)11-18-13-6-8-14(9-7-13)19(21)22/h1-11H/q-1/p+1/b18-11+
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n/an/a 4.58E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55682
PNG
(MLS000717951 | SMR000279519 | cid_3130863)
Show SMILES OCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCO)c3=O
Show InChI InChI=1S/C22H22N2O6/c25-11-3-1-9-23-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(23)28)22(30)24(21(15)29)10-2-4-12-26/h5-8,25-26H,1-4,9-12H2
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n/an/a 4.58E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM50605
PNG
(2,3-Dichloro-5,8-dimethoxy-[1,4]naphthoquinone | 2...)
Show SMILES COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12
Show InChI InChI=1S/C12H8Cl2O4/c1-17-5-3-4-6(18-2)8-7(5)11(15)9(13)10(14)12(8)16/h3-4H,1-2H3
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n/an/a 4.64E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/a 4.84E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM33089
PNG
((3-methyl-4-pyrrolidino-phenyl)amine;hydrochloride...)
Show SMILES Cc1cc(N)ccc1N1CCCC1
Show InChI InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
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n/an/a 4.97E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
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n/an/a 5.11E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM54926
PNG
(3-(4-nitrophenyl)-2H-phthalazine-1,4-dione | 3-(4-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C14H9N3O4/c18-13-11-3-1-2-4-12(11)14(19)16(15-13)9-5-7-10(8-6-9)17(20)21/h1-8H,(H,15,18)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55391
PNG
(1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1-ind...)
Show SMILES CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CC(O)CN2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C34H41N3O3/c1-5-30(34(25-10-14-28(39-3)15-11-25)26-12-16-29(40-4)17-13-26)32-24-37(33-9-7-6-8-31(32)33)23-27(38)22-36-20-18-35(2)19-21-36/h6-17,24,27,38H,5,18-23H2,1-4H3
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n/an/a 5.28E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55707
PNG
(MLS000682564 | N-[3-(4-ethyl-1-piperazinyl)propyl]...)
Show SMILES CCN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
Show InChI InChI=1S/C32H35FN4O2S/c1-2-35-18-20-36(21-19-35)17-7-16-34-31(38)25-14-12-24(13-15-25)22-30-32(39)37(23-26-8-3-4-9-27(26)33)28-10-5-6-11-29(28)40-30/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,34,38)/b30-22+
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n/an/a 5.33E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55904
PNG
(MLS000562875 | SMR000391142 | YW-LW | cid_16745387)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-26-81-28-30-83-31-29-82-27-17-62-57-65-58(74-22-18-72(19-23-74)55(79)53(36-44-34-42-9-5-7-11-49(42)63-44)76-38-51(68-70-76)47(60)32-40(2)3)67-59(66-57)75-24-20-73(21-25-75)56(80)54(37-45-35-43-10-6-8-12-50(43)64-45)77-39-52(69-71-77)48(61)33-41-13-15-46(78)16-14-41;/h1,5-16,34-35,38-40,47-48,53-54,63-64,78H,17-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t47-,48-,53-,54-;/m0./s1
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n/an/a 5.41E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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