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PubChem AID 504689

Compile Data Set for Download or QSAR

Found 353 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bfl-1


(Mus musculus (Mouse))
BDBM41228
PNG
(2,3,5,6-tetrakis(2-furanyl)pyrazine | 2,3,5,6-tetr...)
Show SMILES c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
Show InChI InChI=1S/C20H12N2O4/c1-5-13(23-9-1)17-18(14-6-2-10-24-14)22-20(16-8-4-12-26-16)19(21-17)15-7-3-11-25-15/h1-12H
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n/an/a 360n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51914
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxid...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H26N4O4S/c1-3-32(4-2)13-14-35-27(33)19-9-11-22(12-10-19)30-17-21(16-29)26-31-24(18-37-26)23-15-20-7-5-6-8-25(20)36-28(23)34/h5-12,15,17-18,21H,3-4,13-14H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM29615
PNG
(6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES COc1cccc2C3C=CCC3C(Nc12)C(O)=O
Show InChI InChI=1S/C14H15NO3/c1-18-11-7-3-6-9-8-4-2-5-10(8)13(14(16)17)15-12(9)11/h2-4,6-8,10,13,15H,5H2,1H3,(H,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51883
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-[4-(1,3-benzodioxo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C26H26N4O4S/c1-3-30(4-2)11-12-32-26(31)18-5-8-21(9-6-18)28-15-20(14-27)25-29-22(16-35-25)19-7-10-23-24(13-19)34-17-33-23/h5-10,13,15-16,20H,3-4,11-12,17H2,1-2H3
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n/an/a 1.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78561
PNG
(1-butyl-2-hydroxy-4-keto-N-(2-sulfamoylphenyl)quin...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
Show InChI InChI=1S/C20H21N3O5S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-11,24H,2-3,12H2,1H3,(H,22,25)(H2,21,27,28)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51881
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(4-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)14-15-33-26(31)20-6-10-22(11-7-20)28-17-21(16-27)25-29-24(18-34-25)19-8-12-23(32-3)13-9-19/h6-13,17-18,21H,4-5,14-15H2,1-3H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79254
PNG
(MLS002153701 | SM-IR | SMR001231079 | cid_25162994)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)26-20-16-12-8-10-14-18-22-30-68-60(88)56(28-48-92-4)82-50-53(27-41-84)74-76-82)80-37-33-78(34-38-80)57(85)25-19-15-11-7-9-13-17-21-29-67-59(87)55(24-23-31-69-61(65)66)83-51-54(75-77-83)49-52(3)6-2/h1,50-52,55-56,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56+/m0/s1
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n/an/a 3.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM75699
PNG
(MLS002153695 | RI-MS | SMR001231073 | cid_25163023)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-33-70-62-71-63(80-38-34-78(35-39-80)56(85)28-19-15-11-7-9-13-17-22-30-67-59(87)55(51-84)82-49-54(74-76-82)27-25-48-92-4)73-64(72-62)81-40-36-79(37-41-81)57(86)29-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-50-53(75-77-83)26-21-24-32-69-61(65)66/h1,49-50,52,55,58,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,58-/m0/s1
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n/an/a 3.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78578
PNG
((E)-3-[3-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br
Show InChI InChI=1S/C23H23BrClN3O3/c1-14-23(15(2)28(3)27-14)26-22(29)10-6-16-5-8-20(30-4)17(11-16)13-31-21-9-7-18(25)12-19(21)24/h5-12H,13H2,1-4H3,(H,26,29)/b10-6+
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n/an/a 3.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51882
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM65630
PNG
(2-[[4-(diphenylamino)phenyl]methylideneamino]guani...)
Show SMILES NC(N)=NN=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N5/c21-20(22)24-23-15-16-11-13-19(14-12-16)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H4,21,22,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79010
PNG
(3-(4-chlorobenzyl)-5-methoxy-1-methyl-pyrido[2,3-d...)
Show SMILES COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12
Show InChI InChI=1S/C16H14ClN3O3/c1-19-14-13(12(23-2)7-8-18-14)15(21)20(16(19)22)9-10-3-5-11(17)6-4-10/h3-8H,9H2,1-2H3
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n/an/a 4.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79201
PNG
(IK-IR | MLS002153619 | SMR001230887 | cid_24978566)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n1cc(C[C@@H](C)CC)nn1
Show InChI InChI=1S/C68H120N20O7/c1-6-45-93-47-49-95-50-48-94-46-36-75-66-76-67(85-41-37-83(38-42-85)61(89)30-21-17-13-9-11-15-19-25-33-72-63(91)59(28-23-24-32-69)87-53-57(79-81-87)51-55(4)7-2)78-68(77-66)86-43-39-84(40-44-86)62(90)31-22-18-14-10-12-16-20-26-34-73-64(92)60(29-27-35-74-65(70)71)88-54-58(80-82-88)52-56(5)8-3/h1,53-56,59-60H,7-52,69H2,2-5H3,(H,72,91)(H,73,92)(H4,70,71,74)(H,75,76,77,78)/t55-,56-,59-,60-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/a 4.88E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79270
PNG
(GT-IR | MLS002153687 | SMR001231065 | cid_25163050)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-40-87-42-44-89-45-43-88-41-31-68-60-69-61(71-62(70-60)79-38-34-77(35-39-79)55(84)27-21-17-13-9-11-15-19-23-29-66-58(86)56(51(5)82)81-47-50(4)72-74-81)78-36-32-76(33-37-78)54(83)26-20-16-12-8-10-14-18-22-28-65-57(85)53(25-24-30-67-59(63)64)80-48-52(73-75-80)46-49(3)7-2/h1,47-49,51,53,56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,53-,56+/m0/s1
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n/an/a 5.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78808
PNG
(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Show SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H19FNOS/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2/q+1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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n/an/a 5.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM53218
PNG
(2-[6-(5-amino-1H-benzimidazol-2-yl)pyridin-2-yl]-1...)
Show SMILES Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26)
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n/an/a 5.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM59086
PNG
(1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)amidino]amino]...)
Show SMILES CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
Show InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
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n/an/a 5.95E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79184
PNG
(KI-RI | MLS002153718 | SMR001231144 | cid_24983198)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n1cc(CCCCN=C(N)N)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C68H120N20O7/c1-6-47-93-49-51-95-52-50-94-48-38-75-66-76-67(85-43-39-83(40-44-85)59(89)32-23-17-13-9-11-15-19-27-35-72-63(91)61(55(4)7-2)87-53-57(79-81-87)30-22-21-26-34-69)78-68(77-66)86-45-41-84(42-46-86)60(90)33-24-18-14-10-12-16-20-28-36-73-64(92)62(56(5)8-3)88-54-58(80-82-88)31-25-29-37-74-65(70)71/h1,53-56,61-62H,7-52,69H2,2-5H3,(H,72,91)(H,73,92)(H4,70,71,74)(H,75,76,77,78)/t55-,56-,61-,62-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM50086503
PNG
(2-(5-Thiocyanato-benzofuran-2-yl)-4,5-dihydro-1H-i...)
Show SMILES N#CSc1ccc2oc(cc2c1)C1=NCCN1
Show InChI InChI=1S/C12H9N3OS/c13-7-17-9-1-2-10-8(5-9)6-11(16-10)12-14-3-4-15-12/h1-2,5-6H,3-4H2,(H,14,15)
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n/an/a 6.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76238
PNG
(1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorobe...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
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n/an/a 6.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM59083
PNG
(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Show SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
Show InChI InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1
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n/an/a 6.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM66019
PNG
(GK-IR | MLS002153614 | SMR001230882 | cid_24978568)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-43-89-45-47-91-48-46-90-44-34-71-62-72-63(81-39-35-79(36-40-81)57(85)28-19-15-11-7-9-13-17-23-31-68-59(87)55(26-21-22-30-65)83-50-53(4)75-77-83)74-64(73-62)82-41-37-80(38-42-82)58(86)29-20-16-12-8-10-14-18-24-32-69-60(88)56(27-25-33-70-61(66)67)84-51-54(76-78-84)49-52(3)6-2/h1,50-52,55-56H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,56-/m0/s1
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n/an/a 6.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79333
PNG
(MLS002391554 | SMR001355522 | [4-(8-hydroxy-6-quin...)
Show SMILES Oc1cc(cc2cccnc12)-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C20H19N3O2/c24-18-13-17(12-16-2-1-7-22-19(16)18)14-3-5-15(6-4-14)20(25)23-10-8-21-9-11-23/h1-7,12-13,21,24H,8-11H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79334
PNG
(MLS002391556 | N-[3-(dimethylamino)propyl]-4-(8-hy...)
Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
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n/an/a 7.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79256
PNG
(KI-GK | MLS002153655 | SMR001231033 | cid_25162997)
Show SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H112N18O7/c1-5-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)57(83)30-21-15-11-7-9-13-17-26-34-67-60(85)56(29-23-25-33-66)81-51-54(4)73-75-81)72-64(71-62)80-43-39-78(40-44-80)58(84)31-22-16-12-8-10-14-18-27-35-68-61(86)59(53(3)6-2)82-52-55(74-76-82)28-20-19-24-32-65/h1,51-53,56,59H,6-50,65-66H2,2-4H3,(H,67,85)(H,68,86)(H,69,70,71,72)/t53-,56+,59-/m1/s1
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n/an/a 8.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51912
PNG
(MLS001165417 | SMR000540006 | [(3Z)-3-(2-chloranyl...)
Show SMILES CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C28H39ClNS/c1-4-5-6-7-8-9-10-13-20-30(2,3)21-14-16-24-25-15-11-12-17-27(25)31-28-19-18-23(29)22-26(24)28/h11-12,15-19,22H,4-10,13-14,20-21H2,1-3H3/q+1/b24-16-
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n/an/a 8.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM58367
PNG
(MLS001165405 | SMR000540005 | [(3Z)-3-(2-chloranyl...)
Show SMILES CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C29H41ClNS/c1-4-5-6-7-8-9-10-11-14-21-31(2,3)22-15-17-25-26-16-12-13-18-28(26)32-29-20-19-24(30)23-27(25)29/h12-13,16-20,23H,4-11,14-15,21-22H2,1-3H3/q+1/b25-17-
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n/an/a 8.26E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM64465
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,7...)
Show SMILES COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O5S2/c1-32(2)17-7-18-34(30-31-27-25(38-3)14-15-26(39-4)28(27)40-30)29(35)22-10-12-24(13-11-22)41(36,37)33-19-16-21-8-5-6-9-23(21)20-33/h5-6,8-15H,7,16-20H2,1-4H3
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n/an/a 8.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 8.52E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM55930
PNG
(5-(4-cyanophenyl)-N-[3-[[4-[(4-ethyl-1-piperazinyl...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C35H33F3N6O3/c1-3-43-10-12-44(13-11-43)22-25-8-9-29(18-32(25)35(36,37)38)41-33(45)26-15-30(17-31(16-26)47-2)42-34(46)28-14-27(20-40-21-28)24-6-4-23(19-39)5-7-24/h4-9,14-18,20-21H,3,10-13,22H2,1-2H3,(H,41,45)(H,42,46)
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n/an/a 8.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM43864
PNG
(2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2...)
Show SMILES Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 9.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79188
PNG
(KG-RI | MLS002153724 | SMR001231150 | cid_24978599)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H112N20O7/c1-4-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)57(86)29-20-14-10-6-8-12-16-24-32-68-56(85)52-83-50-54(75-77-83)27-19-18-23-31-65)74-64(73-62)82-42-38-80(39-43-82)58(87)30-21-15-11-7-9-13-17-25-33-69-60(88)59(53(3)5-2)84-51-55(76-78-84)28-22-26-34-70-61(66)67/h1,50-51,53,59H,5-49,52,65H2,2-3H3,(H,68,85)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t53-,59-/m0/s1
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n/an/a 9.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79196
PNG
(MLS002153601 | SMR001230869 | TG-IR | cid_24978573)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
Show InChI InChI=1S/C62H107N19O8/c1-5-39-87-41-43-89-44-42-88-40-30-68-60-69-61(78-35-31-76(32-36-78)56(84)25-19-15-11-7-9-13-17-21-27-65-55(83)49-80-47-53(72-74-80)46-51(4)82)71-62(70-60)79-37-33-77(34-38-79)57(85)26-20-16-12-8-10-14-18-22-28-66-58(86)54(24-23-29-67-59(63)64)81-48-52(73-75-81)45-50(3)6-2/h1,47-48,50-51,54,82H,6-46,49H2,2-4H3,(H,65,83)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t50-,51+,54-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM67655
PNG
(2-[2-[(4-chlorophenoxy)methyl]-3-methyl-1-benzimid...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM50073568
PNG
(6,7-Dimethoxy-2-piperazin-1-yl-quinazolin-4-ylamin...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76133
PNG
(MLS001207566 | N-(2,4-Dimethoxy-benzylidene)-N'...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-13-9-19(17-10-15(24-2)7-8-18(17)22-13)23-21-12-14-5-6-16(25-3)11-20(14)26-4/h5-11H,12H2,1-4H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(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/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79262
PNG
(KG-MS | MLS002153667 | SMR001231045 | cid_25163007)
Show SMILES CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1
Show InChI InChI=1S/C60H103N17O8S/c1-3-40-83-42-44-85-45-43-84-41-31-64-58-65-59(74-36-32-72(33-37-74)55(80)26-18-12-8-4-6-10-14-21-29-62-54(79)49-76-47-51(68-70-76)24-17-16-20-28-61)67-60(66-58)75-38-34-73(35-39-75)56(81)27-19-13-9-5-7-11-15-22-30-63-57(82)53(50-78)77-48-52(69-71-77)25-23-46-86-2/h1,47-48,53,78H,4-46,49-50,61H2,2H3,(H,62,79)(H,63,82)(H,64,65,66,67)/t53-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM46584
PNG
(2-N,4-N-dibenzylquinazoline-2,4-diamine;hydrochlor...)
Show SMILES C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79314
PNG
(6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-8-quino...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
Show InChI InChI=1S/C19H20N4O/c1-22-7-9-23(10-8-22)18-13-14(4-6-20-18)16-11-15-3-2-5-21-19(15)17(24)12-16/h2-6,11-13,24H,7-10H2,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM46560
PNG
(2-[[4-(2,4-dichlorobenzyl)oxybenzylidene]amino]gua...)
Show SMILES NC(N)=NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H14Cl2N4O/c16-12-4-3-11(14(17)7-12)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51857
PNG
(MLS001010894 | N-[4-(3-bromophenyl)-1,3-thiazol-2-...)
Show SMILES CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H24BrN5O2S2/c1-29(2)11-6-12-30-22(32)18-9-3-4-10-19(18)27-24(30)34-15-21(31)28-23-26-20(14-33-23)16-7-5-8-17(25)13-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,26,28,31)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM53484
PNG
(6-Benzothiazol-2-yl-1-ethyl-2-[2-(methyl-phenyl-am...)
Show SMILES CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C31H27N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h4-22H,3H2,1-2H3/q+1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79185
PNG
(KG-KG | MLS002153720 | SMR001231146 | cid_24978595)
Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79199
PNG
(EK-IR | MLS002153610 | SMR001230878 | cid_24978563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1
Show InChI InChI=1S/C67H116N20O9/c1-4-45-94-47-49-96-50-48-95-46-36-74-65-75-66(84-41-37-82(38-42-84)59(88)29-18-14-10-6-8-12-16-22-33-71-62(92)57(27-20-21-32-68)86-52-55(78-80-86)26-24-31-61(90)91)77-67(76-65)85-43-39-83(40-44-85)60(89)30-19-15-11-7-9-13-17-23-34-72-63(93)58(28-25-35-73-64(69)70)87-53-56(79-81-87)51-54(3)5-2/h1,52-54,57-58H,5-51,68H2,2-3H3,(H,71,92)(H,72,93)(H,90,91)(H4,69,70,73)(H,74,75,76,77)/t54-,57-,58-/m0/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79301
PNG
(MLS002280554 | SMR001318322 | cid_42628596)
Show SMILES CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
Show InChI InChI=1S/C61H105N17O9S/c1-3-41-85-43-45-87-46-44-86-42-31-65-59-66-60(75-36-32-73(33-37-75)55(81)25-16-12-8-4-6-10-14-20-29-63-57(83)53(24-18-19-28-62)77-49-52(27-40-79)70-71-77)68-61(67-59)76-38-34-74(35-39-76)56(82)26-17-13-9-5-7-11-15-21-30-64-58(84)54(50-80)78-48-51(69-72-78)23-22-47-88-2/h1,48-49,53-54,79-80H,4-47,50,62H2,2H3,(H,63,83)(H,64,84)(H,65,66,67,68)/t53-,54-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79207
PNG
(MLS002153966 | Methyl benzethonium chloride | SMR0...)
Show SMILES Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
Show InChI InChI=1S/C28H44NO2/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%