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Compile Data Set for Download or QSAR

Found 124 hits of ec50 data for polymerid = 49001175   
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
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM54768
PNG
(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Show SMILES CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
Show InChI InChI=1S/C11H24N2O5S/c1-11(2,9-19(16,17)18)12-10(15)5-6-13(3,4)7-8-14/h14H,5-9H2,1-4H3,(H-,12,15,16,17,18)
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n/an/an/an/a 1.16E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50610
PNG
((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C23H26N4O4/c1-4-5-6-10-20(28)27-14-23(13-19(27)21(24)29)12-18(26-31-23)16-8-7-9-17(11-16)25-22(30)15(2)3/h4-11,19H,2,12-14H2,1,3H3,(H2,24,29)(H,25,30)/b5-4+,10-6+/t19-,23?/m0/s1
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n/an/an/an/a 1.17E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50713
PNG
((8S)-3-(3-methacrylamidophenyl)-7-methacryloyl-1-o...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1
Show InChI InChI=1S/C21H24N4O4/c1-12(2)19(27)23-15-7-5-6-14(8-15)16-9-21(29-24-16)10-17(18(22)26)25(11-21)20(28)13(3)4/h5-8,17H,1,3,9-11H2,2,4H3,(H2,22,26)(H,23,27)/t17-,21?/m0/s1
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n/an/an/an/a 1.24E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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n/an/an/an/a 1.45E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50604
PNG
((8S)-3-(3-methacrylamidophenyl)-7-[(E)-2-methylbut...)
Show SMILES C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C22H26N4O4/c1-5-14(4)21(29)26-12-22(11-18(26)19(23)27)10-17(25-30-22)15-7-6-8-16(9-15)24-20(28)13(2)3/h5-9,18H,2,10-12H2,1,3-4H3,(H2,23,27)(H,24,28)/b14-5+/t18-,22?/m0/s1
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n/an/an/an/a 1.69E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84003
PNG
(3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
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n/an/an/an/a 2.25E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/an/an/a 2.35E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50715
PNG
((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1
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n/an/an/an/a 2.71E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM61723
PNG
((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C23H30N4O4/c1-4-5-6-10-20(28)27-14-23(13-19(27)21(24)29)12-18(26-31-23)16-8-7-9-17(11-16)25-22(30)15(2)3/h7-9,11,19H,2,4-6,10,12-14H2,1,3H3,(H2,24,29)(H,25,30)/t19-,23?/m0/s1
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n/an/an/an/a 2.96E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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n/an/an/an/a 3.41E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80252
PNG
((8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-[2-...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2C(=O)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C31H28N4O5/c1-19(2)29(38)33-22-12-8-11-21(15-22)25-16-31(40-34-25)17-26(28(32)37)35(18-31)30(39)24-14-7-6-13-23(24)27(36)20-9-4-3-5-10-20/h3-15,26H,1,16-18H2,2H3,(H2,32,37)(H,33,38)/t26-,31?/m1/s1
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n/an/an/an/a 3.71E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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n/an/an/an/a 3.86E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80290
PNG
((8R)-7-[2-(4-chloranylphenoxy)ethanoyl]-3-[3-(2-me...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1
Show InChI InChI=1S/C25H25ClN4O5/c1-15(2)24(33)28-18-5-3-4-16(10-18)20-11-25(35-29-20)12-21(23(27)32)30(14-25)22(31)13-34-19-8-6-17(26)7-9-19/h3-10,21H,1,11-14H2,2H3,(H2,27,32)(H,28,33)/t21-,25?/m1/s1
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n/an/an/an/a 4.23E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80289
PNG
((8S)-3-(3-methacrylamidophenyl)-7-[(E)-pent-2-enoy...)
Show SMILES CC\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C22H26N4O4/c1-4-5-9-19(27)26-13-22(12-18(26)20(23)28)11-17(25-30-22)15-7-6-8-16(10-15)24-21(29)14(2)3/h5-10,18H,2,4,11-13H2,1,3H3,(H2,23,28)(H,24,29)/b9-5+/t18-,22?/m0/s1
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n/an/an/an/a 4.43E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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n/an/an/an/a 4.75E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50674
PNG
(4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10+
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n/an/an/an/a 5.12E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM48833
PNG
((5Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-6-9(5-12(15(13)21)20(24)25)7-14-16(22)19(17(23)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/an/an/a 5.80E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84000
PNG
(2-[4-[[(E)-3-(4-ethoxyphenyl)-3-oxidanylidene-prop...)
Show SMILES CCOc1ccc(cc1)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)NC(N)=N
Show InChI InChI=1S/C18H20N4O4S/c1-2-26-15-7-3-13(4-8-15)17(23)11-12-21-14-5-9-16(10-6-14)27(24,25)22-18(19)20/h3-10,12H,2,11H2,1H3,(H4,19,20,22)
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n/an/an/an/a 6.28E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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n/an/an/an/a 6.39E+3n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50974
PNG
(1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...)
Show SMILES [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
Show InChI InChI=1S/C18H20ClN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12H,1-3,6-8H2,(H2,21,22,25)/q-1/p+1
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n/an/an/an/a 6.87E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM40956
PNG
(1-[2-[4-(4-chlorobenzyl)oxyphenyl]-4-cyano-oxazol-...)
Show SMILES NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
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n/an/an/an/a 7.04E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84006
PNG
(6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-15(14-32(29,30)18-5-6-20-19(12-18)24-21(27)13-31-20)22(28)26-9-7-25(8-10-26)17-4-2-3-16(23)11-17/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,24,27)
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n/an/an/an/a 7.43E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM61666
PNG
((5Z)-5-[(4-keto-5,7-dimethyl-chromen-3-yl)methylen...)
Show SMILES Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
Show InChI InChI=1S/C15H12N2O3S/c1-7-3-8(2)12-11(4-7)20-6-9(13(12)18)5-10-14(19)17-15(21)16-10/h3-6H,1-2H3,(H2,16,17,19,21)/b10-5-
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n/an/an/an/a 7.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84003
PNG
(3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
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n/an/an/an/a 8.03E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84008
PNG
(2-[[4-[2-[(4-methylsulfanylphenyl)methylidene]hydr...)
Show SMILES CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C21H18N4O6S2/c1-32-15-8-6-14(7-9-15)13-22-23-19-11-10-16(12-20(19)25(28)29)33(30,31)24-18-5-3-2-4-17(18)21(26)27/h2-12,24H,13H2,1H3,(H,26,27)
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n/an/an/an/a 8.23E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84007
PNG
(CEFIXIME | Cefiximum [Latin] | MLS002222332 | SMR0...)
Show SMILES Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
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n/an/an/an/a 9.08E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84004
PNG
(3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispir...)
Show InChI InChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2
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n/an/an/an/a 9.20E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM46237
PNG
(4-[3-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O6S2/c1-29-16-8-3-13(11-17(16)30-2)12-18-20(26)24(22(31)32-18)10-9-19(25)23-15-6-4-14(5-7-15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,27,28)/b18-12-
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n/an/an/an/a 9.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50696
PNG
(3-[5-[(1-ketothiazolo[3,2-a]benzimidazol-2-ylidene...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)
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n/an/an/an/a 9.48E+3n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84003
PNG
(3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
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n/an/an/an/a 9.48E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84005
PNG
((6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carbox...)
Show SMILES Nc1nc(cs1)C(=NOCC(O)=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/t10-,14-/m1/s1
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n/an/an/an/a 9.93E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM61293
PNG
(4-(carbamoylamino)benzoic acid [2-(2-methoxy-4-nit...)
Show SMILES COc1cc(ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O7/c1-27-14-8-12(21(25)26)6-7-13(14)20-15(22)9-28-16(23)10-2-4-11(5-3-10)19-17(18)24/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,24)
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n/an/an/an/a 1.04E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50603
PNG
((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)
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n/an/an/an/a 1.08E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84002
PNG
(3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropanoic aci...)
Show SMILES CC(Cn1nc(C)cc1C)C(O)=O
Show InChI InChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83999
PNG
(MLS000554836 | SMR000146953 | Sodium; (2Z,4Z)-3-me...)
Show SMILES C\C(\C=C/c1cccnc1)=C\C([O-])=O
Show InChI InChI=1S/C11H11NO2/c1-9(7-11(13)14)4-5-10-3-2-6-12-8-10/h2-8H,1H3,(H,13,14)/p-1/b5-4-,9-7-
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n/an/an/an/a 1.10E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50716
PNG
((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C31H30N4O4/c1-20(2)29(37)33-24-15-9-14-23(16-24)25-17-31(39-34-25)18-26(28(32)36)35(19-31)30(38)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-16,26-27H,1,17-19H2,2H3,(H2,32,36)(H,33,37)/t26-,31?/m1/s1
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n/an/an/an/a 1.14E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM82950
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propan...)
Show SMILES CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrNO4S/c1-2-23-16-6-4-3-5-15(16)19-17(20)11-12-24(21,22)14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20)
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n/an/an/an/a 1.16E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM79509
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-nitro-phe...)
Show SMILES COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15BrN2O6S/c1-25-15-7-4-12(19(21)22)10-14(15)18-16(20)8-9-26(23,24)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
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n/an/an/an/a 1.22E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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n/an/an/an/a 1.27E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM35433
PNG
(MLS000106837 | SMR000111213 | cid_672470)
Show SMILES CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C16H11NO3/c1-2-19-12-8-7-11-13-14(12)15(18)9-5-3-4-6-10(9)16(13)20-17-11/h3-8H,2H2,1H3
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n/an/an/an/a 1.37E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM70892
PNG
(3-(2-hydroxyanilino)-2-methyl-propionic acid | 3-(...)
Show SMILES CC(CNc1ccccc1O)C(O)=O
Show InChI InChI=1S/C10H13NO3/c1-7(10(13)14)6-11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
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n/an/an/an/a 1.40E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM84001
PNG
(MLS000713260 | SMR000272741 | cid_1102901)
Show SMILES Oc1ccc(cc1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1ccc(O)cc1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-13(2-6-15)27-23(31)17-9-11-19-22-20(12-10-18(21(17)22)24(27)32)26(34)28(25(19)33)14-3-7-16(30)8-4-14/h1-12,29-30H
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n/an/an/an/a 1.57E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
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n/an/an/an/a 1.58E+4n/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 (SBIMR, San Diego, C...


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More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM79500
PNG
((8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-(ph...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)22(30)26-18-10-6-9-17(11-18)19-12-24(32-27-19)13-20(21(25)29)28(14-24)23(31)16-7-4-3-5-8-16/h3-11,20H,1,12-14H2,2H3,(H2,25,29)(H,26,30)/t20-,24?/m1/s1
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n/an/an/an/a 1.71E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50202151
PNG
(3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+
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n/an/an/an/a 1.87E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/an/an/a 2.08E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM61728
PNG
(MLS000830182 | N-(4-ketothieno[3,2-d][1,3]thiazin-...)
Show SMILES O=C(Nc1nc2ccsc2c(=O)s1)c1ccco1
Show InChI InChI=1S/C11H6N2O3S2/c14-9(7-2-1-4-16-7)13-11-12-6-3-5-17-8(6)10(15)18-11/h1-5H,(H,12,13,14)
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n/an/an/an/a 2.28E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM83998
PNG
(4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12
Show InChI InChI=1S/C21H17BrN2O3/c22-15-8-6-14(7-9-15)20(25)12-17(21(26)27)18-13-24(11-3-10-23)19-5-2-1-4-16(18)19/h1-2,4-9,13,17H,3,11-12H2,(H,26,27)
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n/an/an/an/a 2.29E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM61754
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-furanylmethyl)propa...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
Show InChI InChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
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n/an/an/an/a 2.34E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM89504
PNG
(3-(1-benzotriazolyl)-2-methylpropanoic acid | 3-(b...)
Show SMILES CC(Cn1nnc2ccccc12)C(O)=O
Show InChI InChI=1S/C10H11N3O2/c1-7(10(14)15)6-13-9-5-3-2-4-8(9)11-12-13/h2-5,7H,6H2,1H3,(H,14,15)
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n/an/an/an/a 4.26E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
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