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PubChem AID 2765

Compile Data Set for Download or QSAR

Found 1065 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
Bcl-2-like protein 11


(Homo sapiens)
BDBM66235
PNG
(MLS000027631 | N-(1-adamantyl)-2-(6-hydroxy-4-oxo-...)
Show SMILES Oc1cc(=O)n(CC=C)c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1
Show InChI InChI=1S/C19H25N3O3S/c1-2-3-22-17(25)7-15(23)20-18(22)26-11-16(24)21-19-8-12-4-13(9-19)6-14(5-12)10-19/h2,7,12-14,23H,1,3-6,8-11H2,(H,21,24)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66236
PNG
((5E)-2,2-dimethyl-4,6-dioxo-5-[1-(1-pyrrolidinyl)p...)
Show SMILES CCC(N1CCCC1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
Show InChI InChI=1S/C17H25NO4/c1-5-11(18-8-6-7-9-18)13-12(19)10-17(2,3)14(15(13)20)16(21)22-4/h14H,5-10H2,1-4H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66248
PNG
((2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-isonipecot...)
Show SMILES CC(O)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O6/c1-14(24)16(17(25)26)22-18(27)21(15-8-6-5-7-9-15)10-12-23(13-11-21)19(28)29-20(2,3)4/h5-9,14,16,24H,10-13H2,1-4H3,(H,22,27)(H,25,26)/t14?,16-/m0/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66266
PNG
(6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC
Show InChI InChI=1S/C16H22N2O4S/c1-4-21-13-9-11-12(10-14(13)22-5-2)17-16(23)18(15(11)19)7-6-8-20-3/h9-10H,4-8H2,1-3H3,(H,17,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66272
PNG
(3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-methyl-N-(3...)
Show SMILES CN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c1cccc(C)c1
Show InChI InChI=1S/C17H17N3O4S/c1-12-5-3-6-13(11-12)20(2)16(21)9-10-25(22,23)15-8-4-7-14-17(15)19-24-18-14/h3-8,11H,9-10H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66274
PNG
(3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H21N3O3/c1-3-29-21-9-5-6-18(15-21)22(28)25-20-8-4-7-19(14-20)24-27-26-23(30-24)17-12-10-16(2)11-13-17/h4-15H,3H2,1-2H3,(H,25,28)
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n/an/an/an/a 6.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66277
PNG
(5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole...)
Show SMILES COc1oc(nc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66280
PNG
(1-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2,5-pyrrolid...)
Show SMILES Cc1cc(-n2c(O)ccc2O)n(n1)-c1ccccc1
Show InChI InChI=1S/C14H13N3O2/c1-10-9-12(16-13(18)7-8-14(16)19)17(15-10)11-5-3-2-4-6-11/h2-9,18-19H,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66281
PNG
(MLS000062685 | N-(4-morpholin-4-ylsulfonylphenyl)f...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccco1
Show InChI InChI=1S/C15H16N2O5S/c18-15(14-2-1-9-22-14)16-12-3-5-13(6-4-12)23(19,20)17-7-10-21-11-8-17/h1-6,9H,7-8,10-11H2,(H,16,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66282
PNG
(2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4...)
Show SMILES CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C20H16BrN3O2S/c1-2-24-19(18-11-14-10-15(21)8-9-17(14)26-18)22-23-20(24)27-12-16(25)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66285
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N4O3/c1-13-17(18(24)23(22(13)2)14-9-5-4-6-10-14)21-19(25)20-15-11-7-8-12-16(15)26-3/h4-12H,1-3H3,(H2,20,21,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM43507
PNG
(4-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-p...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3
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n/an/an/an/a 2.88E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM40530
PNG
(4-chloranyl-8-(diethylamino)pyrano[3,2-c]chromene-...)
Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
Show InChI InChI=1S/C16H14ClNO4/c1-3-18(4-2)9-5-6-10-12(7-9)21-16(20)14-11(17)8-13(19)22-15(10)14/h5-8H,3-4H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM31081
PNG
(7-(hydroxymethyl)-2-(4-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,16,23-25H,12H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM40313
PNG
(3-phenyl-9,10-phenanthrenedione | 3-phenylphenanth...)
Show SMILES O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H12O2/c21-19-16-9-5-4-8-15(16)18-12-14(10-11-17(18)20(19)22)13-6-2-1-3-7-13/h1-12H
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66318
PNG
(1-naphthylmethyl-[4-[(1H-1,2,4-triazol-5-ylamino)m...)
Show SMILES C(Nc1nnc[nH]1)c1ccc(NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H19N5/c1-2-7-19-16(4-1)5-3-6-17(19)13-21-18-10-8-15(9-11-18)12-22-20-23-14-24-25-20/h1-11,14,21H,12-13H2,(H2,22,23,24,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66319
PNG
(1-(4-ethoxyphenyl)-2-(2-fluoroanilino)-4H-imidazol...)
Show SMILES CCOc1ccc(cc1)N1C(=O)CNC1=Nc1ccccc1F
Show InChI InChI=1S/C17H16FN3O2/c1-2-23-13-9-7-12(8-10-13)21-16(22)11-19-17(21)20-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66331
PNG
(1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarbo...)
Show SMILES O=C(NCc1ccccc1)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66346
PNG
(5-tert-butyl-N-(3-hydroxyphenyl)-4,5,6,7-tetrahydr...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1
Show InChI InChI=1S/C18H22N2O3/c1-18(2,3)11-7-8-15-14(9-11)16(20-23-15)17(22)19-12-5-4-6-13(21)10-12/h4-6,10-11,21H,7-9H2,1-3H3,(H,19,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66349
PNG
(3-(4-methylphenyl)-5-({[4-phenyl-5-(2-phenylethyl)...)
Show SMILES Cc1ccc(cc1)-c1noc(CSc2nnc(CCc3ccccc3)n2-c2ccccc2)n1
Show InChI InChI=1S/C26H23N5OS/c1-19-12-15-21(16-13-19)25-27-24(32-30-25)18-33-26-29-28-23(17-14-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-13,15-16H,14,17-18H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66353
PNG
(2-[(5-p-anisyl-4-phenyl-1,2,4-triazol-3-yl)thio]ac...)
Show SMILES CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-3-26-19(24)14-27-20-22-21-18(23(20)16-7-5-4-6-8-16)13-15-9-11-17(25-2)12-10-15/h4-12H,3,13-14H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66362
PNG
(2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxid...)
Show SMILES COc1ccc(cc1)N1C(C(CCC1=O)C(O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H23NO6/c1-26-15-7-5-14(6-8-15)22-19(23)11-9-16(21(24)25)20(22)13-4-10-17(27-2)18(12-13)28-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66365
PNG
(2-[({[(2,5-dimethylphenyl)sulfonyl]amino}acetyl)am...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c2C(N)=O
Show InChI InChI=1S/C20H25N3O4S2/c1-11-5-7-14-15(8-11)28-20(18(14)19(21)25)23-17(24)10-22-29(26,27)16-9-12(2)4-6-13(16)3/h4,6,9,11,22H,5,7-8,10H2,1-3H3,(H2,21,25)(H,23,24)
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n/an/an/an/a 1.11E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66369
PNG
(2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1...)
Show SMILES Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O
Show InChI InChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-4-5-13(19)6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)
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n/an/an/an/a 5.11E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM54208
PNG
(1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazo...)
Show SMILES Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-9-4-6-11(7-5-9)13-10(2)25-16(17-13)18-15(22)14-12(21(23)24)8-20(3)19-14/h4-8H,1-3H3,(H,17,18,22)
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n/an/an/an/a 9.72E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM33097
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM39763
PNG
(2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl...)
Show SMILES COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C
Show InChI InChI=1S/C21H21NO3/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23/h5-13H,1-4H3/p+1
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n/an/an/an/a 1.26E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66378
PNG
(1-(4-chlorobenzyl)-3-phenyl-1-(3,3,3-trifluoro-2-h...)
Show SMILES OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66385
PNG
(2-[3-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-2-y...)
Show SMILES CCc1nnc(NC(=O)CSc2nc(cc(-c3ccc(F)cc3)c2C#N)-c2ccccc2)s1
Show InChI InChI=1S/C24H18FN5OS2/c1-2-22-29-30-24(33-22)28-21(31)14-32-23-19(13-26)18(15-8-10-17(25)11-9-15)12-20(27-23)16-6-4-3-5-7-16/h3-12H,2,14H2,1H3,(H,28,30,31)
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n/an/an/an/a 2.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM51805
PNG
(3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-m...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Show InChI InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3
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n/an/an/an/a 4.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66406
PNG
(2-[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl...)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C
Show InChI InChI=1S/C28H26N4O3/c1-18(2)21-8-4-5-9-22(21)30-27(33)17-35-25-13-12-19(15-26(25)34-3)14-20(16-29)28-31-23-10-6-7-11-24(23)32-28/h4-15,18H,17H2,1-3H3,(H,30,33)(H,31,32)/b20-14-
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n/an/an/an/a 1.46E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66409
PNG
(3-bromanyl-N-(fluoren-9-ylideneamino)benzamide | 3...)
Show SMILES Brc1cccc(c1)C(=O)NN=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H13BrN2O/c21-14-7-5-6-13(12-14)20(24)23-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12H,(H,23,24)
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n/an/an/an/a 5.17E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM61049
PNG
(MLS000569095 | N-[4-(4-Fluoro-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
Show InChI InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)
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n/an/an/an/a 9.65E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM43075
PNG
(4-[(2-Methoxy-4-thiocyanato-phenylamino)-methylene...)
Show SMILES COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C20H18N4O2S/c1-13-4-6-15(7-5-13)24-20(25)17(14(2)23-24)11-22-18-9-8-16(27-12-21)10-19(18)26-3/h4-11,23H,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66429
PNG
(4-Chloro-3-diethylsulfamoyl-N-(2-nitro-phenyl)-ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18ClN3O5S/c1-3-20(4-2)27(25,26)16-11-12(9-10-13(16)18)17(22)19-14-7-5-6-8-15(14)21(23)24/h5-11H,3-4H2,1-2H3,(H,19,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66434
PNG
(2-thiophenecarboxylic acid [2-methoxy-4-[[[2-[[(3-...)
Show SMILES COc1cccc(c1)C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1
Show InChI InChI=1S/C23H21N3O6S/c1-30-17-6-3-5-16(12-17)22(28)24-14-21(27)26-25-13-15-8-9-18(19(11-15)31-2)32-23(29)20-7-4-10-33-20/h3-13H,14H2,1-2H3,(H,24,28)(H,26,27)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66435
PNG
(2-methyl-3-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-be...)
Show SMILES Cc1c(cccc1C(O)=O)N1N(O)c2ccccc2NC1=O
Show InChI InChI=1S/C15H13N3O4/c1-9-10(14(19)20)5-4-8-12(9)17-15(21)16-11-6-2-3-7-13(11)18(17)22/h2-8,22H,1H3,(H,16,21)(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66442
PNG
(4-(4-Methyl-benzylsulfanyl)-1-phenyl-1H-pyrazolo[3...)
Show SMILES Cc1ccc(CSc2ncnc3n(ncc23)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66452
PNG
(MLS000697192 | N-[4-(1-mesyl-5-phenyl-2-pyrazolin-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66453
PNG
(3-[(2,5-dimethylphenyl)thiocarbamoylamino]-1H-indo...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C
Show InChI InChI=1S/C20H21N3O2S/c1-4-25-19(24)18-17(14-7-5-6-8-15(14)21-18)23-20(26)22-16-11-12(2)9-10-13(16)3/h5-11,21H,4H2,1-3H3,(H2,22,23,26)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66464
PNG
(MLS000722123 | N-(3-methylphenyl)-3-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(Nc1cccc(C)c1)c1ccccc21
Show InChI InChI=1S/C23H19N5O2S/c1-15-10-12-18(13-11-15)31(29,30)23-22-25-21(24-17-7-5-6-16(2)14-17)19-8-3-4-9-20(19)28(22)27-26-23/h3-14H,1-2H3,(H,24,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM61616
PNG
(4,5-bis(chloranyl)-2-[(2-chlorophenyl)methyl]pyrid...)
Show SMILES Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C11H7Cl3N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66473
PNG
(MLS000375310 | N-(2,4-diketo-1,3-diazaspiro[4.5]de...)
Show SMILES Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1
Show InChI InChI=1S/C13H17N5O3S2/c1-8-15-16-12(23-8)22-7-9(19)17-18-10(20)13(14-11(18)21)5-3-2-4-6-13/h2-7H2,1H3,(H,14,21)(H,17,19)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66475
PNG
(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-car...)
Show SMILES CC(C)C(OC(=O)c1cc2CCCCCc2s1)C(=O)NC(N)=O
Show InChI InChI=1S/C16H22N2O4S/c1-9(2)13(14(19)18-16(17)21)22-15(20)12-8-10-6-4-3-5-7-11(10)23-12/h8-9,13H,3-7H2,1-2H3,(H3,17,18,19,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66479
PNG
((2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-buty...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C24H30N2O6/c1-14(2)22(26-23(28)17-10-18(30-5)12-19(11-17)31-6)24(29)32-13-21(27)25-20-8-7-15(3)9-16(20)4/h7-12,14,22H,13H2,1-6H3,(H,25,27)(H,26,28)/t22-/m0/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM66498
PNG
(MLS000374756 | N-(4-chlorophenyl)-3-[[(2-oxidanyli...)
Show SMILES CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3ccc(Cl)cc3)=c2c1
Show InChI InChI=1S/C24H21ClN4O4S/c1-14(2)15-6-11-21-20(13-15)22(24(31)26-21)27-28-23(30)16-4-3-5-19(12-16)34(32,33)29-18-9-7-17(25)8-10-18/h3-14,29H,1-2H3,(H,28,30)(H,26,27,31)
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n/an/an/an/a 3.73E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%