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There are 286 purchasable compounds for target: Apoptotic peptidase activating factor 1

Wt: 300.3
BDBM18
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Wt: 208.2
BDBM22857
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Wt: 306.1
BDBM22796
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Wt: 483.5
BDBM29621
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Wt: 403.8
BDBM30722
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Wt: 409.3
BDBM30725
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Wt: 367.4
BDBM30762
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Wt: 369.4
BDBM30768
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Wt: 488.5
BDBM30771
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Wt: 275.2
BDBM32004
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Wt: 310.3
BDBM32052
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Wt: 543.5
BDBM32022
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Wt: 322.4
BDBM32025
Wt: 387.8
BDBM32030
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Wt: 406.4
BDBM32033
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Displayed 1 to 15 (of 286 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 18,22796,22857,29621,30722,30725,30762,30768,30771,32004,32022,32025,32030,32033,32052   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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n/an/a 1.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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


(Homo sapiens)
BDBM22796
PNG
(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
Show InChI InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32030
PNG
(2-chloranyl-N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Show InChI InChI=1S/C21H14ClN5O/c1-2-11-27-19(26-21(28)13-7-3-4-8-15(13)22)14(12-23)18-20(27)25-17-10-6-5-9-16(17)24-18/h2-10H,1,11H2,(H,26,28)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM32033
PNG
(1-butyl-2-(2-furoylamino)pyrrolo[3,2-b]quinoxaline...)
Show SMILES CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H22N4O4/c1-3-5-12-26-19(25-21(27)16-11-8-13-30-16)17(22(28)29-4-2)18-20(26)24-15-10-7-6-9-14(15)23-18/h6-11,13H,3-5,12H2,1-2H3,(H,25,27)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM30762
PNG
(2-amino-N-butan-2-yl-1-(2-oxolanylmethyl)-3-pyrrol...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-3-12(2)22-20(26)16-17-19(24-15-9-5-4-8-14(15)23-17)25(18(16)21)11-13-7-6-10-27-13/h4-5,8-9,12-13H,3,6-7,10-11,21H2,1-2H3,(H,22,26)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30768
PNG
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Show SMILES COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H27N5O2/c1-13(2)9-10-22-20(26)16-17-19(25(18(16)21)11-6-12-27-3)24-15-8-5-4-7-14(15)23-17/h4-5,7-8,13H,6,9-12,21H2,1-3H3,(H,22,26)
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n/an/a 4.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30771
PNG
(2-amino-1-(3-morpholinopropyl)-N-piperonyl-pyrrolo...)
Show SMILES Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
Show InChI InChI=1S/C26H28N6O4/c27-24-22(26(33)28-15-17-6-7-20-21(14-17)36-16-35-20)23-25(30-19-5-2-1-4-18(19)29-23)32(24)9-3-8-31-10-12-34-13-11-31/h1-2,4-7,14H,3,8-13,15-16,27H2,(H,28,33)
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n/an/a 7.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32052
PNG
(6-methoxy-3-(p-anisidinomethyl)carbostyril | 6-met...)
Show SMILES COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-22-15-5-3-14(4-6-15)19-11-13-9-12-10-16(23-2)7-8-17(12)20-18(13)21/h3-10,19H,11H2,1-2H3,(H,20,21)
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n/an/a 6.25E+4n/an/an/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)
BDBM29621
PNG
(1-benzyl-2-(2-furoylamino)-N-(3-methoxypropyl)pyrr...)
Show SMILES COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33)
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n/an/a>1.00E+5n/an/an/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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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM18
PNG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
Show SMILES Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C20H17N3/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13/h2-12,22H,21H2,1H3/p+1
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n/an/a 2.45E+4n/an/an/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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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32022
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 2.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 549n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32030
PNG
(2-chloranyl-N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Show InChI InChI=1S/C21H14ClN5O/c1-2-11-27-19(26-21(28)13-7-3-4-8-15(13)22)14(12-23)18-20(27)25-17-10-6-5-9-16(17)24-18/h2-10H,1,11H2,(H,26,28)
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n/an/a>1.00E+5n/an/an/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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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/a>1.00E+5n/an/an/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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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32033
PNG
(1-butyl-2-(2-furoylamino)pyrrolo[3,2-b]quinoxaline...)
Show SMILES CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H22N4O4/c1-3-5-12-26-19(25-21(27)16-11-8-13-30-16)17(22(28)29-4-2)18-20(26)24-15-10-7-6-9-14(15)23-18/h6-11,13H,3-5,12H2,1-2H3,(H,25,27)
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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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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30762
PNG
(2-amino-N-butan-2-yl-1-(2-oxolanylmethyl)-3-pyrrol...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-3-12(2)22-20(26)16-17-19(24-15-9-5-4-8-14(15)23-17)25(18(16)21)11-13-7-6-10-27-13/h4-5,8-9,12-13H,3,6-7,10-11,21H2,1-2H3,(H,22,26)
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Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM30768
PNG
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Show SMILES COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H27N5O2/c1-13(2)9-10-22-20(26)16-17-19(25(18(16)21)11-6-12-27-3)24-15-8-5-4-7-14(15)23-17/h4-5,7-8,13H,6,9-12,21H2,1-3H3,(H,22,26)
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Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM30771
PNG
(2-amino-1-(3-morpholinopropyl)-N-piperonyl-pyrrolo...)
Show SMILES Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
Show InChI InChI=1S/C26H28N6O4/c27-24-22(26(33)28-15-17-6-7-20-21(14-17)36-16-35-20)23-25(30-19-5-2-1-4-18(19)29-23)32(24)9-3-8-31-10-12-34-13-11-31/h1-2,4-7,14H,3,8-13,15-16,27H2,(H,28,33)
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Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM32052
PNG
(6-methoxy-3-(p-anisidinomethyl)carbostyril | 6-met...)
Show SMILES COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-22-15-5-3-14(4-6-15)19-11-13-9-12-10-16(23-2)7-8-17(12)20-18(13)21/h3-10,19H,11H2,1-2H3,(H,20,21)
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Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM29621
PNG
(1-benzyl-2-(2-furoylamino)-N-(3-methoxypropyl)pyrr...)
Show SMILES COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33)
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Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM18
PNG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
Show SMILES Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C20H17N3/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13/h2-12,22H,21H2,1H3/p+1
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Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32022
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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Burnham Center for Chemical Genomics

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


(Homo sapiens)
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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Burnham Center for Chemical Genomics

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Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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Burnham Center for Chemical Genomics

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Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 18,22796,22857,29621,30722,30725,30762,30768,30771,32004,32022,32025,32030,32033,32052
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
H1/H5-depleted chromatin

(Homo sapiens (human)-Homo sapiens (Human))
BDBM18
JPEG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
GoogleScholar
PDB
PC cid
PC sid
-6.621.47-8.134.937.520



Universite de Liege





Biochemistry 37: 9119-26 (1998)

DNA(calf thymus)

(Bos taurus (bovine))
BDBM18
JPEG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
GoogleScholar
PC cid
PC sid
-7.020.441-7.425.207.520



Universite de Liege





Biochemistry 37: 9119-26 (1998)