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Compile Data Set for Download or QSAR

Found 1065 hits Enz. Inhib. hit(s) with all data for entry = 4389   
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 (Human))		BDBM67030
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H19N3O8S2/c22-21(23)15-3-1-2-4-18(15)31(26,27)20-9-7-19(8-10-20)30(24,25)14-5-6-16-17(13-14)29-12-11-28-16/h1-6,13H,7-12H2
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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 (Human))		BDBM67031
PNG
(5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)...)
Show SMILES Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc34)c12
Show InChI InChI=1S/C20H12N6S3/c1-26-20(23-24-25-26)29-19-16-14(9-27-18(16)21-10-22-19)13-7-4-6-12-11-5-2-3-8-15(11)28-17(12)13/h2-10H,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 (Human))		BDBM67032
PNG
(6,7-dimethoxy-3-phenyl-4-[3-(trifluoromethyl)pheny...)
Show SMILES COc1cc2cnc(-c3ccccc3)c(-c3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H18F3NO2/c1-29-20-12-17-14-28-23(15-7-4-3-5-8-15)22(19(17)13-21(20)30-2)16-9-6-10-18(11-16)24(25,26)27/h3-14H,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 (Human))		BDBM67033
PNG
(6,7-dimethoxy-3-(4-methoxyphenyl)-4-[(E)-2-(3-nitr...)
Show SMILES COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1\C=C\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H21NO7/c1-31-19-10-8-17(9-11-19)25-20(12-7-16-5-4-6-18(13-16)27(29)30)21-14-23(32-2)24(33-3)15-22(21)26(28)34-25/h4-15H,1-3H3/b12-7+
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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 (Human))		BDBM67034
PNG
(MLS002425406 | SMR001371332 | cid_44142781)
Show SMILES [H][C@]12COc3ccc(OC)cc3[C@]1([H])N1C(=O)CN(CC3CCCO3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
Show InChI InChI=1S/C24H30N2O7/c1-4-31-22(28)20-17-13-33-18-8-7-14(30-3)10-16(18)21(17)26-19(27)12-25(23(29)24(20,26)2)11-15-6-5-9-32-15/h7-8,10,15,17,20-21H,4-6,9,11-13H2,1-3H3/t15?,17-,20-,21+,24-/m1/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 (Human))		BDBM67036
PNG
(MLS002425537 | N-[1-(2-fluorobenzyl)-2-keto-2-(pro...)
Show SMILES CCCNC(=O)C(Cc1ccccc1F)NC(=O)c1ccccn1
Show InChI InChI=1S/C18H20FN3O2/c1-2-10-21-17(23)16(12-13-7-3-4-8-14(13)19)22-18(24)15-9-5-6-11-20-15/h3-9,11,16H,2,10,12H2,1H3,(H,21,23)(H,22,24)
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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 (Human))		BDBM67037
PNG
(2-methyl-4-[(4-nitro-1H-benzimidazol-2-yl)methylsu...)
Show SMILES Cc1nc(SCc2nc3c(cccc3[nH]2)[N+]([O-])=O)c2oc3ccccc3c2n1
Show InChI InChI=1S/C19H13N5O3S/c1-10-20-16-11-5-2-3-8-14(11)27-18(16)19(21-10)28-9-15-22-12-6-4-7-13(24(25)26)17(12)23-15/h2-8H,9H2,1H3,(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 (Human))		BDBM165
PNG
(MLS002460463 | SMR001382680 | cid_44143239 | formi...)
Show SMILES CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)
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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 (Human))		BDBM67038
PNG
(MLS002302624 | N-cyclopentyl-9,10,10-triketo-6-m-c...)
Show SMILES CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C28H27NO4S/c1-17(2)18-7-5-8-19(15-18)20-13-14-22-25(16-20)34(32,33)24-12-6-11-23(26(24)27(22)30)28(31)29-21-9-3-4-10-21/h5-8,11-17,21H,3-4,9-10H2,1-2H3,(H,29,31)
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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 (Human))		BDBM67039
PNG
(MLS002302625 | N-cyclohexyl-9,10,10-triketo-6-[4-(...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H22F3NO5S/c28-27(29,30)36-19-12-9-16(10-13-19)17-11-14-20-23(15-17)37(34,35)22-8-4-7-21(24(22)25(20)32)26(33)31-18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6H2,(H,31,33)
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n/an/an/an/a 2.75E+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 (Human))		BDBM67041
PNG
(MLS002302635 | N-cyclopentyl-9,10,10-triketo-6-[(E...)
Show SMILES O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(\C=C\c3ccccc3)cc1S2(=O)=O
Show InChI InChI=1S/C27H23NO4S/c29-26-21-16-15-19(14-13-18-7-2-1-3-8-18)17-24(21)33(31,32)23-12-6-11-22(25(23)26)27(30)28-20-9-4-5-10-20/h1-3,6-8,11-17,20H,4-5,9-10H2,(H,28,30)/b14-13+
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n/an/an/an/a 1.06E+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 (Human))		BDBM67042
PNG
(MLS002302639 | N-(2-chlorobenzyl)-9,10,10-triketo-...)
Show SMILES CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C30H24ClNO4S/c1-18(2)19-8-5-9-20(15-19)21-13-14-23-27(16-21)37(35,36)26-12-6-10-24(28(26)29(23)33)30(34)32-17-22-7-3-4-11-25(22)31/h3-16,18H,17H2,1-2H3,(H,32,34)
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n/an/an/an/a 7.58E+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 (Human))		BDBM50241243
PNG
(3,4',5,7-Tetrahydroxyflavone-3-glucoside | 3-(beta...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15-,17+,18-,21+/m1/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 (Human))		BDBM67043
PNG
((5R)-5-(4-methoxyphenyl)-3-[2-(trifluoromethyl)phe...)
Show SMILES COc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccccc1C(F)(F)F |c:13|
Show InChI InChI=1S/C20H17F3O2/c1-25-17-8-6-13(7-9-17)14-10-15(12-16(24)11-14)18-4-2-3-5-19(18)20(21,22)23/h2-9,12,14H,10-11H2,1H3/t14-/m1/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 (Human))		BDBM67044
PNG
(MLS002472295 | N-(2-bromobenzyl)-9,10,10-triketo-6...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C28H17BrF3NO5S/c29-22-6-2-1-4-18(22)15-33-27(35)21-5-3-7-23-25(21)26(34)20-13-10-17(14-24(20)39(23,36)37)16-8-11-19(12-9-16)38-28(30,31)32/h1-14H,15H2,(H,33,35)
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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 (Human))		BDBM67046
PNG
(MLS002252862 | N-(2-chlorophenyl)-2-[[2-keto-2-(1-...)
Show SMILES CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H20ClN3O2/c1-25(14-21(27)24-19-11-5-4-10-17(19)22)13-20(26)23-18-12-6-8-15-7-2-3-9-16(15)18/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
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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 (Human))		BDBM67047
PNG
(6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic...)
Show SMILES Cc1cc(NC(=O)COC(=O)[C+]2CCC(=O)N([N-]2)c2ccccc2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C21H20N4O6/c1-13-10-17(18(25(29)30)11-14(13)2)22-19(26)12-31-21(28)16-8-9-20(27)24(23-16)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)
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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 (Human))		BDBM67048
PNG
(MLS002245115 | N-[2-(dimethylamino)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)NCc1ccco1)N(C)C
Show InChI InChI=1S/C24H29N3O5S/c1-17-7-12-21(33(29,30)26-15-20-6-5-13-32-20)14-22(17)24(28)25-16-23(27(2)3)18-8-10-19(31-4)11-9-18/h5-14,23,26H,15-16H2,1-4H3,(H,25,28)
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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 (Human))		BDBM67049
PNG
(4-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hy...)
Show SMILES OC(=O)CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1 |w:6.6|
Show InChI InChI=1S/C22H25N3O5S/c26-21(27)13-12-20(17-8-3-1-4-9-17)23-24-22(28)18-10-7-11-19(16-18)31(29,30)25-14-5-2-6-15-25/h1,3-4,7-11,16H,2,5-6,12-15H2,(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 (Human))		BDBM67050
PNG
(4-[(4-ethoxyphenoxy)methyl]-N'-[(Z)-2-pyrrolyliden...)
Show SMILES CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1 |w:18.18|
Show InChI InChI=1S/C21H21N3O3/c1-2-26-19-9-11-20(12-10-19)27-15-16-5-7-17(8-6-16)21(25)24-23-14-18-4-3-13-22-18/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14+
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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 (Human))		BDBM67052
PNG
(MLS002276354 | SMR001317989 | [(2R,3aS,3bR,5aS,9aS...)
Show SMILES CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O |t:30|
Show InChI InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21+,22-,23+,25-,27+,28-,29-/m1/s1
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n/an/an/an/a 3.27E+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 (Human))		BDBM67053
PNG
(MLS002276356 | SMR001317991 | [(2S,3aS,3bR,5aS,9aS...)
Show SMILES CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@H](O2)C1=CC(=O)O[C@@H]1OC(C)=O |t:30|
Show InChI InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21-,22+,23-,25-,27-,28+,29+/m0/s1
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n/an/an/an/a 4.98E+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 (Human))		BDBM67054
PNG
((2R)-2-allylsuccinic acid O1-[(2S)-2-[[(2S)-2-[2-[...)
Show SMILES CC(C)(C)OC(=O)C[C@@H](CC=C)C(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CO)Cc1ccccc1
Show InChI InChI=1S/C36H48N2O7/c1-6-14-28(22-32(40)37-30(24-39)20-26-16-10-8-11-17-26)34(42)38-31(21-27-18-12-9-13-19-27)25-44-35(43)29(15-7-2)23-33(41)45-36(3,4)5/h6-13,16-19,28-31,39H,1-2,14-15,20-25H2,3-5H3,(H,37,40)(H,38,42)/t28-,29+,30+,31-/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 (Human))		BDBM50241422
PNG
(cid_5352002 | cucurbitacin B)
Show SMILES CC(=O)OC(C)(C)\C=C\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:22|
Show InChI InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32-/m1/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 (Human))		BDBM67055
PNG
(5-methyl-1-propyl-indole-2,3-dione | 5-methyl-1-pr...)
Show SMILES CCCN1C(=O)C(=O)c2cc(C)ccc12
Show InChI InChI=1S/C12H13NO2/c1-3-6-13-10-5-4-8(2)7-9(10)11(14)12(13)15/h4-5,7H,3,6H2,1-2H3
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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 (Human))		BDBM67057
PNG
(1-(4-chlorobenzyl)-5-methyl-isatin | 1-[(4-chlorop...)
Show SMILES Cc1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12ClNO2/c1-10-2-7-14-13(8-10)15(19)16(20)18(14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
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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 (Human))		BDBM67058
PNG
(5,6-dimethoxy-2-(4-methylsulfonylphenyl)-N-(4-oxid...)
Show SMILES COc1cc2sc(c(C(=O)NCCCCO)c2cc1OC)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H25NO6S2/c1-28-17-12-16-19(13-18(17)29-2)30-21(20(16)22(25)23-10-4-5-11-24)14-6-8-15(9-7-14)31(3,26)27/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,25)
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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 (Human))		BDBM67059
PNG
(4-[2-[4-(2-phenyl-1-benzothiophen-3-yl)phenoxy]eth...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H25NO2S/c1-2-6-21(7-3-1)26-25(23-8-4-5-9-24(23)30-26)20-10-12-22(13-11-20)29-19-16-27-14-17-28-18-15-27/h1-13H,14-19H2
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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 (Human))		BDBM67060
PNG
(1-[2-[4-(2-phenyl-1-benzothiophen-3-yl)phenoxy]eth...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H25NOS/c1-2-8-21(9-3-1)26-25(23-10-4-5-11-24(23)29-26)20-12-14-22(15-13-20)28-19-18-27-16-6-7-17-27/h1-5,8-15H,6-7,16-19H2
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n/an/an/an/a 1.07E+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 (Human))		BDBM67061
PNG
(MLS002473679 | N-[(2S,3S)-2-[[(3,5-dimethyl-1,2-ox...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
Show InChI InChI=1S/C25H33F3N4O7S/c1-14-11-32(15(2)13-33)24(35)19-10-18(29-22(34)8-9-25(26,27)28)6-7-20(19)38-21(14)12-31(5)40(36,37)23-16(3)30-39-17(23)4/h6-7,10,14-15,21,33H,8-9,11-13H2,1-5H3,(H,29,34)/t14-,15+,21+/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 (Human))		BDBM67063
PNG
(4-chloranyl-N-[(2R,3R)-3-methyl-2-[[methyl(pyridin...)
Show SMILES C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O
Show InChI InChI=1S/C28H33ClN4O5S/c1-19-15-33(20(2)18-34)28(35)25-14-23(31-39(36,37)24-7-4-22(29)5-8-24)6-9-26(25)38-27(19)17-32(3)16-21-10-12-30-13-11-21/h4-14,19-20,27,31,34H,15-18H2,1-3H3/t19-,20+,27+/m1/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 (Human))		BDBM67064
PNG
(MLS002474476 | N-[(2R,3S)-3-methyl-2-[[methyl-[(4-...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(cc2)-c2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O
Show InChI InChI=1S/C36H41N3O5S/c1-26-22-39(27(2)25-40)36(41)21-31-20-32(37-45(42,43)33-12-8-5-9-13-33)18-19-34(31)44-35(26)24-38(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4-20,26-27,35,37,40H,21-25H2,1-3H3/t26-,27+,35-/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 (Human))		BDBM67065
PNG
(1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S,3S)-2-[[(4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO
Show InChI InChI=1S/C29H37N5O8S/c1-17-14-34(18(2)16-35)28(36)24-13-21(30-29(37)31-27-19(3)32-42-20(27)4)7-12-25(24)41-26(17)15-33(5)43(38,39)23-10-8-22(40-6)9-11-23/h7-13,17-18,26,35H,14-16H2,1-6H3,(H2,30,31,37)/t17-,18+,26+/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 (Human))		BDBM67066
PNG
(3-cyclohexyl-1-[[(2S,3S)-5-[(1R)-2-hydroxy-1-methy...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C1=O
Show InChI InChI=1S/C27H40N6O6S/c1-18-13-33(19(2)16-34)26(35)21-11-8-12-22(30-40(37,38)24-15-31(3)17-28-24)25(21)39-23(18)14-32(4)27(36)29-20-9-6-5-7-10-20/h8,11-12,15,17-20,23,30,34H,5-7,9-10,13-14,16H2,1-4H3,(H,29,36)/t18-,19+,23+/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 (Human))		BDBM67068
PNG
(4-(2-cyanoethanoylamino)-N-methyl-N-[2-(naphthalen...)
Show SMILES CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1
Show InChI InChI=1S/C23H20N4O3/c1-27(23(30)17-9-11-18(12-10-17)25-21(28)13-14-24)15-22(29)26-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13,15H2,1H3,(H,25,28)(H,26,29)
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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 (Human))		BDBM67069
PNG
(4-chloranyl-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-mo...)
Show SMILES COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1
Show InChI InChI=1S/C24H24ClN3O5S/c1-32-21-9-6-19(7-10-21)27-34(30,31)23-16-20(8-11-22(23)28-12-14-33-15-13-28)26-24(29)17-2-4-18(25)5-3-17/h2-11,16,27H,12-15H2,1H3,(H,26,29)
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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 (Human))		BDBM67070
PNG
(2-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1...)
Show SMILES CC(C)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H29N3O4S/c1-15(2)19(23)20-17-14-16(27(24,25)22-10-12-26-13-11-22)6-7-18(17)21-8-4-3-5-9-21/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,23)
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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 (Human))		BDBM67071
PNG
(MLS002248121 | N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
Show InChI InChI=1S/C24H21FN4O6S2/c1-15-16(2)27-35-24(15)29-37(33,34)20-13-9-18(10-14-20)26-23(30)21-5-3-4-6-22(21)28-36(31,32)19-11-7-17(25)8-12-19/h3-14,28-29H,1-2H3,(H,26,30)
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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 (Human))		BDBM67072
PNG
(2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenox...)
Show SMILES CN(c1ccc(OCC(=O)NC2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 |(5.75,6.78,;7.08,6.01,;7.08,4.47,;8.41,3.7,;8.41,2.16,;7.08,1.39,;7.08,-.15,;5.75,-.92,;5.75,-2.46,;7.08,-3.23,;4.41,-3.23,;4.41,-4.77,;5.75,-5.54,;5.75,-7.08,;4.41,-7.85,;4.41,-9.39,;3.08,-7.08,;3.08,-5.54,;5.75,2.16,;5.75,3.7,;8.41,6.78,;7.64,8.12,;9.18,5.45,;9.75,7.55,;11.08,6.78,;12.42,7.55,;12.42,9.09,;13.75,9.86,;11.08,9.86,;9.75,9.09,)|
Show InChI InChI=1S/C21H25ClN2O5S/c1-24(30(27,28)20-12-2-15(22)3-13-20)17-6-10-19(11-7-17)29-14-21(26)23-16-4-8-18(25)9-5-16/h2-3,6-7,10-13,16,18,25H,4-5,8-9,14H2,1H3,(H,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 (Human))		BDBM67074
PNG
((2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-bu...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H22FN3O7S2/c1-12(2)18(23-32(28,29)16-9-4-3-8-15(16)20)19(25)30-11-17(24)22-13-6-5-7-14(10-13)31(21,26)27/h3-10,12,18,23H,11H2,1-2H3,(H,22,24)(H2,21,26,27)/t18-/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 (Human))		BDBM67075
PNG
(4-mesylbenzoic acid [2-keto-2-[(1-methylpyrrole-2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H16N2O6S/c1-18-9-3-4-13(18)15(20)17-14(19)10-24-16(21)11-5-7-12(8-6-11)25(2,22)23/h3-9H,10H2,1-2H3,(H,17,19,20)
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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 (Human))		BDBM67076
PNG
(2-[2-[[[2-[(4-chlorophenyl)sulfamoyl]-4-nitro-phen...)
Show SMILES OC(=O)COc1ccccc1CN=Nc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O |w:13.14|
Show InChI InChI=1S/C21H17ClN4O7S/c22-15-5-7-16(8-6-15)25-34(31,32)20-11-17(26(29)30)9-10-18(20)24-23-12-14-3-1-2-4-19(14)33-13-21(27)28/h1-11,25H,12-13H2,(H,27,28)
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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 (Human))		BDBM67077
PNG
(5,6-dichloro-3-pyridinecarboxylic acid [2-[2-(4-me...)
Show SMILES COc1ccc(CCNC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H16Cl2N2O4/c1-24-13-4-2-11(3-5-13)6-7-20-15(22)10-25-17(23)12-8-14(18)16(19)21-9-12/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
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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 (Human))		BDBM67078
PNG
(6-amino-1-cyclopropyl-5-[2-[[5-(sec-butylamino)-1,...)
Show SMILES CCC(C)Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1
Show InChI InChI=1S/C15H20N6O3S2/c1-3-7(2)17-13-19-20-15(26-13)25-6-9(22)10-11(16)21(8-4-5-8)14(24)18-12(10)23/h7-8H,3-6,16H2,1-2H3,(H,17,19)(H,18,23,24)
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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 (Human))		BDBM67080
PNG
(MLS002164271 | N-[4-[2-(2',5'-dioxo-1'-spiro[2,3-d...)
Show SMILES CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)c(F)c1
Show InChI InChI=1S/C22H20FN3O4/c1-13(27)24-15-8-9-16(18(23)11-15)19(28)12-26-20(29)22(25-21(26)30)10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,24,27)(H,25,30)
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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 (Human))		BDBM67081
PNG
(3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-...)
Show SMILES Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)cc1C
Show InChI InChI=1S/C20H23N5O3/c1-12-5-6-16(9-13(12)2)24-18(26)10-28-19(27)8-7-17-14(3)23-20-21-11-22-25(20)15(17)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,24,26)
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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 (Human))		BDBM67082
PNG
(2-(3-pyrrolidin-1-ylsulfonylanilino)-N-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C19H20F3N3O3S/c20-19(21,22)14-5-3-7-16(11-14)24-18(26)13-23-15-6-4-8-17(12-15)29(27,28)25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26)
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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 (Human))		BDBM67083
PNG
(4-keto-4-(2-thienyl)butyric acid phenacyl ester | ...)
Show SMILES O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O4S/c17-13(15-7-4-10-21-15)8-9-16(19)20-11-14(18)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2
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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 (Human))		BDBM67084
PNG
(3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(4-a...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
Show InChI InChI=1S/C22H22N4O8S/c1-25-19(23)18(20(28)26(2)22(25)30)17(27)12-34-21(29)13-5-4-6-16(11-13)35(31,32)24-14-7-9-15(33-3)10-8-14/h4-11,24H,12,23H2,1-3H3
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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 (Human))		BDBM67086
PNG
(3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methoxy-N-(2-...)
Show SMILES COc1cc(NS(=O)(=O)c2cc(ccc2OC)C(=O)NCCc2ccccn2)cc(OC)c1
Show InChI InChI=1S/C23H25N3O6S/c1-30-19-13-18(14-20(15-19)31-2)26-33(28,29)22-12-16(7-8-21(22)32-3)23(27)25-11-9-17-6-4-5-10-24-17/h4-8,10,12-15,26H,9,11H2,1-3H3,(H,25,27)
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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
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