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PubChem AID 2218

Compile data set for download or QSAR
Found 128 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-xL/BAK


(Homo sapiens)
BDBM61865
PNG
((6E)-4-(2-chlorobenzyl)-6-[(2-hydroxy-4-methyl-ani...)
Show SMILES Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Show InChI InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
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n/an/a 7.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM60527
PNG
((5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-y...)
Show SMILES Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
Show InChI InChI=1S/C22H13ClN4O4S/c23-12-4-3-5-13(10-12)27-20(29)15(19(28)26-22(27)30)11-14-8-9-18(31-14)32-21-24-16-6-1-2-7-17(16)25-21/h1-11H,(H,24,25)(H,26,28,30)/b15-11-
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61860
PNG
(Benzoic acid 3-oxo-2-[1-pyridin-4-yl-meth-(Z)-ylid...)
Show SMILES O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H13NO4/c23-20-17-7-6-16(25-21(24)15-4-2-1-3-5-15)13-18(17)26-19(20)12-14-8-10-22-11-9-14/h1-13H/b19-12-
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n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50301
PNG
((5E)-1-(2-furanylmethyl)-5-[[5-(3-nitrophenyl)-2-f...)
Show SMILES [O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O7/c24-18-16(19(25)22(20(26)21-18)11-15-5-2-8-29-15)10-14-6-7-17(30-14)12-3-1-4-13(9-12)23(27)28/h1-10H,11H2,(H-,21,24,25,26)
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n/an/a 1.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61901
PNG
(6-amino-1,3-dimethyl-5-[2-(6-methyl-2-nitropyridin...)
Show SMILES Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N5O6/c1-7-4-5-9(12(16-7)19(23)24)25-6-8(20)10-11(15)17(2)14(22)18(3)13(10)21/h4-5H,6,15H2,1-3H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM30708
PNG
((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
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n/an/a 2.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM52965
PNG
(1-O-methyl 4-O-(7-methyl-6,8-dioxo-3-thiophen-3-yl...)
Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1
Show InChI InChI=1S/C19H16O7S/c1-19(26-17(22)4-3-16(21)24-2)15(20)8-12-7-14(11-5-6-27-10-11)25-9-13(12)18(19)23/h5-10H,3-4H2,1-2H3
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n/an/a 2.73E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61868
PNG
(5-[(3-carbazol-9-ylpropanoylhydrazinylidene)methyl...)
Show SMILES Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H21N5O2S/c1-17-10-13-29(14-11-17)24-22(33-25(32)27-24)16-26-28-23(31)12-15-30-20-8-4-2-6-18(20)19-7-3-5-9-21(19)30/h2-11,13-14,16H,12,15H2,1H3,(H-,26,27,28,31,32)
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n/an/a 2.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61899
PNG
(2-(2-methylphenoxy)acetic acid [2-[(3,5-dichloro-4...)
Show SMILES Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
Show InChI InChI=1S/C17H16Cl2N2O4/c1-10-5-3-4-6-13(10)24-9-15(23)25-8-14(22)21-17-16(19)11(2)12(18)7-20-17/h3-7H,8-9H2,1-2H3,(H,20,21,22)
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n/an/a 3.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
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n/an/a 3.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50654
PNG
(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)
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n/an/a 3.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50303406
PNG
(2-(2-(4-methyl-4H-1,2,4-triazol-3-ylthio)acetamido...)
Show SMILES Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
Show InChI InChI=1S/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)
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n/an/a 3.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53342
PNG
((E)-3-(2-furanyl)-N-[2-oxo-2-[(2-oxo-3-indolyl)hyd...)
Show SMILES O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O
Show InChI InChI=1S/C17H14N4O4/c22-14(8-7-11-4-3-9-25-11)18-10-15(23)20-21-16-12-5-1-2-6-13(12)19-17(16)24/h1-9H,10H2,(H,18,22)(H,20,23)(H,19,21,24)/b8-7+
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n/an/a 3.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM46236
PNG
(4-[8-[(3-chloranyl-2-methyl-phenyl)sulfamoyl]-3a,4...)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H23ClN2O4S/c1-15-22(27)6-3-7-23(15)29-34(32,33)18-12-13-24-21(14-18)19-4-2-5-20(19)25(28-24)16-8-10-17(11-9-16)26(30)31/h2-4,6-14,19-20,25,28-29H,5H2,1H3,(H,30,31)
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n/an/a 5.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31765
PNG
(MLS-0024020.0001 | N-(5-methyl-1,2-oxazol-3-yl)-2-...)
Show SMILES Cc1cc(NC(=O)Cc2cccs2)no1
Show InChI InChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)11-10(13)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,12,13)
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n/an/a 5.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 5.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61866
PNG
(2-methyl-N-[(5-nitro-2-furanyl)methylideneamino]-3...)
Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O4/c1-9-13(18-7-3-2-4-11(18)16-9)14(20)17-15-8-10-5-6-12(23-10)19(21)22/h2-8H,1H3,(H,17,20)/b15-8+
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n/an/a 5.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM60839
PNG
(8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclo...)
Show SMILES OC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12
Show InChI InChI=1S/C14H12F3NO3/c15-14(16,17)21-7-4-5-11-10(6-7)8-2-1-3-9(8)12(18-11)13(19)20/h1-2,4-6,8-9,12,18H,3H2,(H,19,20)
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n/an/a 6.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61892
PNG
(MLS001303550 | N-(1,3-benzothiazol-2-yl)-2-[(3-cya...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
Show InChI InChI=1S/C17H10N4O3S3/c18-6-8-14-15(10(22)5-12(23)20-14)27-16(8)25-7-13(24)21-17-19-9-3-1-2-4-11(9)26-17/h1-5H,7H2,(H,19,21,24)(H2,20,22,23)
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n/an/a 6.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM42027
PNG
(4-[8-[(3-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrah...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C26H24N2O5S/c1-33-19-5-2-4-18(14-19)28-34(31,32)20-12-13-24-23(15-20)21-6-3-7-22(21)25(27-24)16-8-10-17(11-9-16)26(29)30/h2-6,8-15,21-22,25,27-28H,7H2,1H3,(H,29,30)
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n/an/a 6.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 6.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/a 6.87E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40586
PNG
(2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...)
Show SMILES CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C14H16N2O3S2/c1-3-16-12(17)10-8-5-4-6-9(8)21-11(10)15-14(16)20-7(2)13(18)19/h7H,3-6H2,1-2H3,(H,18,19)
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n/an/a 9.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61880
PNG
(5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-b...)
Show SMILES Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
Show InChI InChI=1S/C18H17NO5S/c1-10-4-5-11(2)16(8-10)25(22,23)19-13-6-7-15-14(9-13)17(18(20)21)12(3)24-15/h4-9,19H,1-3H3,(H,20,21)
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n/an/a 9.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61877
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Show InChI InChI=1S/C12H7N5O3S3/c13-2-5-9-10(6(18)1-7(19)15-9)23-11(5)21-3-8(20)16-12-17-14-4-22-12/h1,4H,3H2,(H2,15,18,19)(H,16,17,20)
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n/an/a 9.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53267
PNG
(4-[2-[(E)-[2,4-bis(oxidanylidene)-3-(2-oxidanylide...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C21H19N3O5S/c25-18(22-9-1-2-10-22)13-24-19(26)17(30-21(24)29)12-16-4-3-11-23(16)15-7-5-14(6-8-15)20(27)28/h3-8,11-12H,1-2,9-10,13H2,(H,27,28)/b17-12+
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n/an/a 1.04E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31750
PNG
(5,6-bis(2-furanyl)-3-(methylthio)-1,2,4-triazine |...)
Show SMILES CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S/c1-18-12-13-10(8-4-2-6-16-8)11(14-15-12)9-5-3-7-17-9/h2-7H,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40627
PNG
((E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,...)
Show SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
Show InChI InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM38238
PNG
(4-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C16H17N3O4S/c1-3-23-15(22)11-4-6-12(7-5-11)18-14(21)9-24-16-17-10(2)8-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61854
PNG
(4-Amino-benzoic acid [2-hydroxy-5-(naphthalen-1-yl...)
Show SMILES Nc1ccc(cc1)C(=O)NN=Cc1cc(ccc1O)N=Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N5O2/c25-19-10-8-17(9-11-19)24(31)29-26-15-18-14-20(12-13-23(18)30)27-28-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,30H,25H2,(H,29,31)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40234
PNG
(3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...)
Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1
Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM29680
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Show SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C25H18N2O6S/c1-32-16-6-4-5-15(10-16)27-24(31)17-7-2-3-8-19(17)26-25(27)34-13-14-9-23(30)33-22-12-21(29)20(28)11-18(14)22/h2-12,28-29H,13H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM34809
PNG
(MLS000393214 | N'-[(E)-(2,3-dihydroxy-4-keto-cyclo...)
Show SMILES Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O
Show InChI InChI=1S/C20H23N3O7S/c24-17-7-4-15(19(26)20(17)27)13-21-22-18(25)8-3-14-1-5-16(6-2-14)31(28,29)23-9-11-30-12-10-23/h1-2,4-7,13,24,26-27H,3,8-12H2,(H,22,25)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50447
PNG
(2-(4-bromoanilino)-6-nitro-1,3-benzothiazin-4-one ...)
Show SMILES [O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
Show InChI InChI=1S/C14H8BrN3O3S/c15-8-1-3-9(4-2-8)16-14-17-13(19)11-7-10(18(20)21)5-6-12(11)22-14/h1-7H,(H,16,17,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61875
PNG
(2,2,2-trichloroethyl N-[(1S)-1-(2-phenylcyclopropy...)
Show SMILES C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C1CC1c1ccccc1
Show InChI InChI=1S/C13H16Cl3NO3S/c1-9(17-21(18,19)20-8-13(14,15)16)11-7-12(11)10-5-3-2-4-6-10/h2-6,9,11-12,17H,7-8H2,1H3/t9-,11?,12?/m0/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61885
PNG
((E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-...)
Show SMILES Brc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1
Show InChI InChI=1S/C16H10BrN3O5/c17-13-5-2-10(25-13)3-6-15(22)24-8-14(21)18-9-1-4-11-12(7-9)20-16(23)19-11/h1-7H,8H2,(H,18,21)/b6-3+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61886
PNG
(2-fluoranyl-N'-(3-pyrrol-1-ylphenyl)carbonyl-benzo...)
Show SMILES Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C18H14FN3O2/c19-16-9-2-1-8-15(16)18(24)21-20-17(23)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H,20,23)(H,21,24)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61896
PNG
(2-(3,4-dihydroxyphenyl)-4-benzo[h][1]benzopyranone...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H12O4/c20-15-8-6-12(9-17(15)22)18-10-16(21)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10,20,22H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40599
PNG
(6-(4-fluorobenzyl)-2-(2-furfurylidene)thiazolo[3,2...)
Show SMILES Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
Show InChI InChI=1S/C17H10FN3O3S/c18-11-5-3-10(4-6-11)8-13-15(22)19-17-21(20-13)16(23)14(25-17)9-12-2-1-7-24-12/h1-7,9H,8H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM34278
PNG
(1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyph...)
Show SMILES CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-3-22-18(13-6-4-5-7-17(13)26-2)20-21-19(22)27-11-16(25)12-8-9-14(23)15(24)10-12/h4-10,23-24H,3,11H2,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES CC(NNC(=O)c1cc2ccccc2cc1O)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50675
PNG
(2-(2-furanylmethyl)-3-sulfanylidene-4,6,7,8-tetrah...)
Show SMILES O=c1n(Cc2ccco2)c(=S)[nH]c2sc3CCCc3c12
Show InChI InChI=1S/C14H12N2O2S2/c17-13-11-9-4-1-5-10(9)20-12(11)15-14(19)16(13)7-8-3-2-6-18-8/h2-3,6H,1,4-5,7H2,(H,15,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53108
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...)
Show SMILES COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
Show InChI InChI=1S/C18H15NO6/c1-24-18(23)11-4-2-3-5-13(11)19-9-10-6-17(22)25-16-8-15(21)14(20)7-12(10)16/h2-8,19-21H,9H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53191
PNG
(3-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...)
Show SMILES Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H13N3O4/c1-9-18-12-5-3-2-4-11(12)16(23)19(9)17-8-10-6-7-13(20)15(22)14(10)21/h2-8,20-22H,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61876
PNG
(3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H...)
Show SMILES [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Show InChI InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM55007
PNG
(MLS001081306 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-20(18(22)16-10-12-4-3-5-15(12)24-16)11-17(21)19-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61900
PNG
((E)-3-(4-chloranyl-3-nitro-phenyl)-2-(5-pyrrolidin...)
Show SMILES OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H15ClN2O6S2/c18-13-4-3-11(10-14(13)20(23)24)9-12(17(21)22)15-5-6-16(27-15)28(25,26)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8H2,(H,21,22)/b12-9-
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM37534
PNG
((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...)
Show SMILES CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40631
PNG
(2-(5,6-dihydro-4H-cyclopent[d]isoxazole-3-carbonyl...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
Show InChI InChI=1S/C15H14N2O4/c1-20-15(19)9-5-2-3-7-11(9)16-14(18)13-10-6-4-8-12(10)21-17-13/h2-3,5,7H,4,6,8H2,1H3,(H,16,18)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31755
PNG
(3-(benzylthio)-5,6-bis(2-furyl)-1,2,4-triazine | 3...)
Show SMILES C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C18H13N3O2S/c1-2-6-13(7-3-1)12-24-18-19-16(14-8-4-10-22-14)17(20-21-18)15-9-5-11-23-15/h1-11H,12H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48460
PNG
(MLS000528514 | N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H13N3OS2/c19-13(10-12-7-4-8-20-12)16-15-18-17-14(21-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61857
PNG
(7-nitro-5-(1-pyrrolidinylmethyl)-8-quinolinol | 7-...)
Show SMILES Oc1c(cc(CN2CCCC2)c2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O3/c18-14-12(17(19)20)8-10(9-16-6-1-2-7-16)11-4-3-5-15-13(11)14/h3-5,8,18H,1-2,6-7,9H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61858
PNG
(4-((E)-{[(1-naphthylamino)acetyl]hydrazono}methyl)...)
Show SMILES OC(=O)c1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-22-12-14-8-10-16(11-9-14)20(25)26)13-21-18-7-3-5-15-4-1-2-6-17(15)18/h1-12,21H,13H2,(H,23,24)(H,25,26)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50230
PNG
((E)-3-(4-chloranyl-3-nitro-phenyl)-N-(4-pyrrolidin...)
Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
Show InChI InChI=1S/C19H18ClN3O3/c20-17-9-3-14(13-18(17)23(25)26)4-10-19(24)21-15-5-7-16(8-6-15)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,24)/b10-4+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM51766
PNG
(MLS000696984 | N'-[(E)-(5-methoxy-6-oxidanylidene-...)
Show SMILES COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C17H12N3O5S/c1-25-13-4-2-3-10(16(13)21)9-18-19-17(22)15-8-11-7-12(20(23)24)5-6-14(11)26-15/h2-9H,1H3,(H,19,22)/q-1/p+1/b18-9+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48798
PNG
(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic...)
Show SMILES COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
Show InChI InChI=1S/C18H19NO5S/c1-22-12-6-7-14(23-2)13(9-12)19-17(20)10-24-18(21)16-8-11-4-3-5-15(11)25-16/h6-9H,3-5,10H2,1-2H3,(H,19,20)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48853
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O3S/c1-28-15-8-6-13(7-9-15)25-10-2-4-14(25)12-16-18(22)26-21(23-19(16)27)30-20(24-26)17-5-3-11-29-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48888
PNG
((E)-3-(2-furanyl)-N,N-bis(2-pyridinyl)-2-propenami...)
Show SMILES O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C17H13N3O2/c21-17(10-9-14-6-5-13-22-14)20(15-7-1-3-11-18-15)16-8-2-4-12-19-16/h1-13H/b10-9+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM52950
PNG
(2-thiophenecarboxylic acid [5-bromo-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1
Show InChI InChI=1S/C22H15BrO6S/c1-22(29-21(26)17-4-3-9-30-17)19(24)15-11-28-16(10-14(15)18(23)20(22)25)12-5-7-13(27-2)8-6-12/h3-11H,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61869
PNG
(4-amino-N-(1,3-benzoxazol-2-yl)benzenesulfonamide ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2o1
Show InChI InChI=1S/C13H11N3O3S/c14-9-5-7-10(8-6-9)20(17,18)16-13-15-11-3-1-2-4-12(11)19-13/h1-8H,14H2,(H,15,16)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61873
PNG
(2-[(3S)-1,1-diketo-2-(3-methoxyphenyl)-6-(trifluor...)
Show SMILES CCOC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO5S/c1-3-28-18(24)11-16-15-8-7-12(19(20,21)22)9-17(15)29(25,26)23(16)13-5-4-6-14(10-13)27-2/h4-10,16H,3,11H2,1-2H3/t16-/m0/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61883
PNG
(MLS001229931 | N-(3-furanylmethylideneamino)-3,5-d...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1ccoc1
Show InChI InChI=1S/C12H10N2O4/c15-10-3-9(4-11(16)5-10)12(17)14-13-6-8-1-2-18-7-8/h1-7,15-16H,(H,14,17)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61884
PNG
(2-[5-(2,5-dihydroxyphenyl)sulfonylnaphthalen-1-yl]...)
Show SMILES Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C22H16O8S2/c23-13-7-9-17(25)21(11-13)31(27,28)19-5-1-3-15-16(19)4-2-6-20(15)32(29,30)22-12-14(24)8-10-18(22)26/h1-12,23-26H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61890
PNG
(MLS001097823 | N-(6-amino-2,4-diketo-1-propyl-pyri...)
Show SMILES CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H27N5O3/c1-3-5-14-26(18-19(23)27(11-4-2)22(30)24-20(18)28)21(29)16-9-8-10-17(15-16)25-12-6-7-13-25/h6-10,12-13,15H,3-5,11,14,23H2,1-2H3,(H,24,28,30)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61895
PNG
(2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C20H22N2O6S/c1-26-15-6-8-16(9-7-15)29(24,25)22-12-10-21(11-13-22)20(23)19-14-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-14H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31752
PNG
(Icosa‐5,8,11,14‐tetraynoic acid (D3) |...)
Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40603
PNG
(2-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)ethanone ...)
Show SMILES Clc1ccc(SCC(=O)c2ccco2)cc1
Show InChI InChI=1S/C12H9ClO2S/c13-9-3-5-10(6-4-9)16-8-11(14)12-2-1-7-15-12/h1-7H,8H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61864
PNG
(3-({[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydraz...)
Show SMILES COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1O
Show InChI InChI=1S/C16H15N3O4S/c1-23-13-7-3-5-11(14(13)20)9-17-19-16(24)18-12-6-2-4-10(8-12)15(21)22/h2-9,20H,1H3,(H,21,22)(H2,18,19,24)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50240899
PNG
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-chrom...)
Show SMILES COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM51308
PNG
(4-(2-furanyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine...)
Show SMILES Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C17H12N2O2/c1-11-4-6-12(7-5-11)15-9-13(16-3-2-8-21-16)14(10-18)17(20)19-15/h2-9H,1H3,(H,19,20)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61251
PNG
(3-[5-({3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl...)
Show SMILES Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C25H18N2O8S/c1-13-2-3-14(24(30)31)8-17(13)18-7-5-16(35-18)10-21-23(29)27(25(32)36-21)11-22(28)26-15-4-6-19-20(9-15)34-12-33-19/h2-10H,11-12H2,1H3,(H,26,28)(H,30,31)/b21-10-
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31700
PNG
((5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2-furyl)[...)
Show SMILES COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H10BrN3O3S/c1-22-11-5-4-10(17)7-9(11)8-13-15(21)20-16(24-13)18-14(19-20)12-3-2-6-23-12/h2-8H,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61850
PNG
(MLS000096569 | SMR000062231 | [2-(3-chlorophenyl)-...)
Show SMILES Clc1cccc(c1)-n1nc(cc1C(=O)N1CCCCC1)-c1ccco1
Show InChI InChI=1S/C19H18ClN3O2/c20-14-6-4-7-15(12-14)23-17(19(24)22-9-2-1-3-10-22)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,1-3,9-10H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
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 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM49131
PNG
(MLS000087345 | N-(2,4-difluorophenyl)-5,6-dihydro-...)
Show SMILES Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM42232
PNG
(3-({7-[(2-furylmethyl)thio]-4-nitro-2,1,3-benzoxad...)
Show SMILES CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H16N4O6S/c1-10(21)24-7-3-5-17-12-8-13(27-9-11-4-2-6-25-11)14-15(19-26-18-14)16(12)20(22)23/h2,4,6,8,17H,3,5,7,9H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM54975
PNG
(MLS000394231 | N-(4-methoxy-3-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H25N3O5S/c1-31-21-10-9-16(15-22(21)33(29,30)27-11-13-32-14-12-27)25-24(28)23-17-5-2-3-7-19(17)26-20-8-4-6-18(20)23/h2-3,5,7,9-10,15H,4,6,8,11-14H2,1H3,(H,25,28)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50705
PNG
((4E)-4-[[[2-allylimino-4-(2-furyl)-4-thiazolin-3-y...)
Show SMILES Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O
Show InChI InChI=1S/C17H15N3O4S/c1-2-7-18-17-20(12(10-25-17)14-4-3-8-24-14)19-9-11-5-6-13(21)16(23)15(11)22/h2-6,8-10,21-23H,1,7H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61871
PNG
(2-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyri...)
Show SMILES Cc1ccc(cc1C)-c1csc2ncn(CC#N)c(=O)c12
Show InChI InChI=1S/C16H13N3OS/c1-10-3-4-12(7-11(10)2)13-8-21-15-14(13)16(20)19(6-5-17)9-18-15/h3-4,7-9H,6H2,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61872
PNG
(2-(3-Chloro-phenyl)-2,3-dihydro-1H-perimidine | 2-...)
Show SMILES Clc1cccc(c1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C17H13ClN2/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10,17,19-20H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61879
PNG
(2-[(5E)-5-[2-(2-chlorobenzyl)oxy-5-nitro-benzylide...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C19H13ClN2O6S2/c20-14-4-2-1-3-11(14)10-28-15-6-5-13(22(26)27)7-12(15)8-16-18(25)21(9-17(23)24)19(29)30-16/h1-8H,9-10H2,(H,23,24)/b16-8+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM55161
PNG
(2-[[5-(2-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl...)
Show SMILES CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
Show InChI InChI=1S/C13H14N6O2S2/c1-8(2)19-11(9-4-3-5-21-9)16-18-13(19)22-6-10(20)15-12-17-14-7-23-12/h3-5,7-8H,6H2,1-2H3,(H,15,17,20)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61887
PNG
(MLS001138927 | N-(1,1-diketo-3-methyl-thiolan-3-yl...)
Show SMILES CC1(CCS(=O)(=O)C1)NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H23N3O4S2/c1-18(8-9-27(24,25)10-18)21-14(22)7-6-13-19-16(23)15-11-4-2-3-5-12(11)26-17(15)20-13/h2-10H2,1H3,(H,21,22)(H,19,20,23)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61889
PNG
(MLS001161412 | N-[2-(2,5-dimethylanilino)-2-keto-e...)
Show SMILES CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C22H23N3O2/c1-16-9-10-17(2)20(13-16)23-21(26)15-24(3)22(27)18-7-6-8-19(14-18)25-11-4-5-12-25/h4-14H,15H2,1-3H3,(H,23,26)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61894
PNG
(MLS002164959 | N-(4-ethoxy-3-morpholin-4-ylsulfony...)
Show SMILES CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H25N3O5S/c1-2-31-21-9-8-19(17-22(21)32(28,29)26-12-14-30-15-13-26)24-23(27)18-6-5-7-20(16-18)25-10-3-4-11-25/h3-11,16-17H,2,12-15H2,1H3,(H,24,27)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61898
PNG
(2-hydroxy-3-methoxy-benzoic acid [2-[(3-carbamoyl-...)
Show SMILES COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
Show InChI InChI=1S/C18H18N2O6S/c1-25-11-6-2-5-10(15(11)22)18(24)26-8-13(21)20-17-14(16(19)23)9-4-3-7-12(9)27-17/h2,5-6,22H,3-4,7-8H2,1H3,(H2,19,23)(H,20,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61851
PNG
(MLS000087343 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2noc3CCCc23)c(OC)cc1Cl
Show InChI InChI=1S/C15H15ClN2O4/c1-20-12-7-10(13(21-2)6-9(12)16)17-15(19)14-8-4-3-5-11(8)22-18-14/h6-7H,3-5H2,1-2H3,(H,17,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61853
PNG
(2-(5-methyl-2-furanyl)-N-(5-methyl-2-pyridinyl)-4-...)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
Show InChI InChI=1S/C21H17N3O2/c1-13-7-10-20(22-12-13)24-21(25)16-11-18(19-9-8-14(2)26-19)23-17-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,22,24,25)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM40694
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-[2-...)
Show SMILES O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C25H21N3O6/c29-23(27-9-11-28(12-10-27)24(30)22-8-4-14-33-22)16-34-25(31)18-15-20(21-7-3-13-32-21)26-19-6-2-1-5-17(18)19/h1-8,13-15H,9-12,16H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61855
PNG
((E)-2-(1,3-dithiolan-2-ylidene)-5-(2-furanyl)-3-ox...)
Show SMILES OC(=O)C(C(=O)\C=C\c1ccco1)=C1SCCS1
Show InChI InChI=1S/C12H10O4S2/c13-9(4-3-8-2-1-5-16-8)10(11(14)15)12-17-6-7-18-12/h1-5H,6-7H2,(H,14,15)/b4-3+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61856
PNG
(2-Hydroxy-N-(1,8,8-trimethyl-2,4-dioxo-3-aza-bicyc...)
Show SMILES CC1(C)C2CCC1(C)C(=O)N(NC(=O)c1ccccc1O)C2=O
Show InChI InChI=1S/C17H20N2O4/c1-16(2)11-8-9-17(16,3)15(23)19(14(11)22)18-13(21)10-6-4-5-7-12(10)20/h4-7,11,20H,8-9H2,1-3H3,(H,18,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61861
PNG
(2-[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]-7-(me...)
Show SMILES CNc1ccccc(C(=O)\C=C\c2ccccc2OC)c1=O
Show InChI InChI=1S/C18H17NO3/c1-19-15-9-5-4-8-14(18(15)21)16(20)12-11-13-7-3-6-10-17(13)22-2/h3-12H,1-2H3,(H,19,21)/b12-11+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50726
PNG
(4-[2-[[(5-bromanyl-1-benzofuran-2-yl)carbonylhydra...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C21H14BrN3O4/c22-15-5-8-18-14(10-15)11-19(29-18)20(26)24-23-12-17-2-1-9-25(17)16-6-3-13(4-7-16)21(27)28/h1-12H,(H,24,26)(H,27,28)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61893
PNG
(3,4-dimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl...)
Show SMILES COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O7S/c1-22-9-4-3-8(5-10(9)23-2)13(19)24-7-11(18)16-14-15-6-12(25-14)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61897
PNG
(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbox...)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
Show InChI InChI=1S/C18H17N5O4/c1-3-15(25)20-13-6-4-12(5-7-13)14(24)10-27-17(26)16-21-18-19-9-8-11(2)23(18)22-16/h4-9H,3,10H2,1-2H3,(H,20,25)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61849
PNG
((E)-3-amino-2-[2-[[5-(3-methylanilino)-1,3,4-thiad...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N5OS2/c1-9-4-3-5-11(6-9)18-14-19-20-15(23-14)22-8-13(21)12(7-16)10(2)17/h3-6,12,17H,8H2,1-2H3,(H,18,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM34475
PNG
(9-bromanyl-4-oxidanyl-6H-chromeno[2,3-b]indol-3-on...)
Show SMILES Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
Show InChI InChI=1S/C15H8BrNO3/c16-8-2-3-11-9(6-8)10-5-7-1-4-12(18)13(19)14(7)20-15(10)17-11/h1-6,17,19H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM41518
PNG
(2-hydroxy-3,5-bisnitro-N'-(4-pyridinylmethylen...)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
Show InChI InChI=1S/C13H9N5O6/c19-12-10(5-9(17(21)22)6-11(12)18(23)24)13(20)16-15-7-8-1-3-14-4-2-8/h1-7,19H,(H,16,20)/b15-7+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61859
PNG
(2-(1-naphthalenylamino)-N'-[(E)-(6-oxo-5-prop-2-en...)
Show SMILES Oc1c(CC=C)cccc1C=NNC(=O)CNc1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c1-2-7-17-10-5-11-18(22(17)27)14-24-25-21(26)15-23-20-13-6-9-16-8-3-4-12-19(16)20/h2-6,8-14,23,27H,1,7,15H2,(H,25,26)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50304
PNG
(MLS000720395 | SMR000236300 | cid_15944832 | sodiu...)
Show SMILES [O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H8N2O8S/c15-11-3-1-7(5-9(11)13(17)18)23(21,22)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H/p-2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50381
PNG
(2-[2-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyri...)
Show SMILES OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50587
PNG
(2-(2-furyl)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N4O4S/c29-24(19-15-21(22-10-5-13-32-22)27-20-9-2-1-8-18(19)20)26-16-6-3-7-17(14-16)33(30,31)28-23-11-4-12-25-23/h1-3,5-10,13-15H,4,11-12H2,(H,25,28)(H,26,29)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM41892
PNG
(1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridi...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
Show InChI InChI=1S/C18H16N4O3S/c1-2-8-22-17(13-4-3-7-19-10-13)20-21-18(22)26-11-16(25)12-5-6-14(23)15(24)9-12/h2-7,9-10,23-24H,1,8,11H2
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM52889
PNG
(4-(7-hydrocinnamoyloxy-6,8-diketo-7-methyl-isochro...)
Show SMILES COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1
Show InChI InChI=1S/C24H24O7/c1-24(31-22(27)12-11-16-7-4-3-5-8-16)20(25)14-17-13-18(9-6-10-21(26)29-2)30-15-19(17)23(24)28/h3-5,7-8,13-15H,6,9-12H2,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM55001
PNG
((E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-...)
Show SMILES Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1
Show InChI InChI=1S/C17H12BrNO6/c18-15-5-2-11(25-15)3-6-17(22)24-8-13(20)10-1-4-14-12(7-10)19-16(21)9-23-14/h1-7H,8-9H2,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM54963
PNG
(6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethy...)
Show SMILES CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)13-16-17(14-25)22(26-21(18(16)15-32-24)19-5-3-11-30-19)27-7-9-28(10-8-27)23(29)20-6-4-12-31-20/h3-6,11-12H,7-10,13,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61852
PNG
(MLS000050442 | N-(2-furanylmethyl)-2-(4-oxo-6-phen...)
Show SMILES O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccco1
Show InChI InChI=1S/C19H15N3O3S/c23-17(20-10-14-7-4-8-25-14)11-22-12-21-18-15(19(22)24)9-16(26-18)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,20,23)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50280
PNG
(2-(2-furanyl)-N-(4-methyl-2-thiazolyl)-4-quinoline...)
Show SMILES Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
Show InChI InChI=1S/C18H13N3O2S/c1-11-10-24-18(19-11)21-17(22)13-9-15(16-7-4-8-23-16)20-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,19,21,22)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM42125
PNG
(6-bromanyl-2-(5-methylfuran-2-yl)quinoline-4-carbo...)
Show SMILES Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
Show InChI InChI=1S/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61862
PNG
(3-[(4-chlorophenyl)sulfamoyl]-N-(4-pyridylmethylen...)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN4O3S/c20-16-4-6-17(7-5-16)24-28(26,27)18-3-1-2-15(12-18)19(25)23-22-13-14-8-10-21-11-9-14/h1-13,24H,(H,23,25)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61863
PNG
(2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(5-ethyl-4...)
Show SMILES CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C23H29NO6S/c1-6-17-12(24(29)30)7-18(31-17)21(19-13(25)8-22(2,3)9-14(19)26)20-15(27)10-23(4,5)11-16(20)28/h7,19-21H,6,8-11H2,1-5H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50667
PNG
(1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-...)
Show SMILES [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)c1=O
Show InChI InChI=1S/C18H16Cl2N5O6S2/c19-12-7-11(17(26)16(8-12)25(27)28)10-21-23-18(32)22-15-9-13(1-2-14(15)20)33(29,30)24-3-5-31-6-4-24/h1-2,7-10H,3-6H2,(H2,22,23,32)/q-1/p+1
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61870
PNG
((3-formylphenyl) (E)-3-(furan-2-yl)prop-2-enoate |...)
Show SMILES O=Cc1cccc(OC(=O)\C=C\c2ccco2)c1
Show InChI InChI=1S/C14H10O4/c15-10-11-3-1-4-13(9-11)18-14(16)7-6-12-5-2-8-17-12/h1-10H/b7-6+
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61878
PNG
(MLS001222123 | N-(6-Bromo-benzothiazol-2-yl)-2-(3-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
Show InChI InChI=1S/C17H9BrN4O3S3/c18-7-1-2-9-11(3-7)27-17(20-9)22-13(25)6-26-16-8(5-19)14-15(28-16)10(23)4-12(24)21-14/h1-4H,6H2,(H,20,22,25)(H2,21,23,24)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM51789
PNG
(2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
Show InChI InChI=1S/C21H16BrN3O6S3/c22-12-4-3-5-13(10-12)23-16(26)11-25-15-7-2-1-6-14(15)17(19(25)27)18-20(28)24(21(32)33-18)8-9-34(29,30)31/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30,31)/b18-17-
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61882
PNG
(MLS001232805 | N-[(E)-1-[3-[(4-chlorobenzoyl)amino...)
Show SMILES CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H18ClN3O4/c1-13(25-26-22(30)19-12-18(27)9-10-20(19)28)15-3-2-4-17(11-15)24-21(29)14-5-7-16(23)8-6-14/h2-12,27-28H,1H3,(H,24,29)(H,26,30)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61888
PNG
(MLS001141795 | N-[2-(2,3-dimethylanilino)-2-keto-e...)
Show SMILES Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
Show InChI InChI=1S/C21H21N3O2/c1-15-7-5-10-19(16(15)2)23-20(25)14-22-21(26)17-8-6-9-18(13-17)24-11-3-4-12-24/h3-13H,14H2,1-2H3,(H,22,26)(H,23,25)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61891
PNG
(1-(6-Chloro-benzothiazol-2-yl)-4-(furan-2-carbonyl...)
Show SMILES Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
Show InChI InChI=1S/C20H11ClN2O5S/c21-10-5-6-11-14(9-10)29-20(22-11)23-16(12-3-1-7-27-12)15(18(25)19(23)26)17(24)13-4-2-8-28-13/h1-9,15-16H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%