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PubChem AID 1322

Compile data set for download or QSAR
Found 78 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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/an/an/a 1.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32265
PNG
(4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoli...)
Show SMILES CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
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n/an/an/an/a 3.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32273
PNG
(2,8-dimethyl-5,6-dihydrodipyrrolo[1,2-b:1',2'-e]py...)
Show SMILES Cc1cc2-c3ccc(C)n3CCn2c1
Show InChI InChI=1S/C12H14N2/c1-9-7-12-11-4-3-10(2)14(11)6-5-13(12)8-9/h3-4,7-8H,5-6H2,1-2H3
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n/an/an/an/a 2.65E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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n/an/an/an/a 2.31E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32301
PNG
((1E,2E)-3-phenylacrylaldehyde (1,1-dioxido-1,2-ben...)
Show SMILES OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
Show InChI InChI=1S/C18H17N3O3S/c22-14-13-21(19-12-6-9-15-7-2-1-3-8-15)18-16-10-4-5-11-17(16)25(23,24)20-18/h1-12,22H,13-14H2/b9-6+,19-12?
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n/an/an/an/a 2.00E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32313
PNG
(3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C16H11ClO3/c17-13-7-3-1-5-11(13)9-10-14(18)12-6-2-4-8-15(19)16(12)20/h1-10H,(H,19,20)/b10-9+
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n/an/an/an/a 1.93E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32319
PNG
((5Z)-2-morpholino-5-[[5-(p-tolyl)-2-furyl]methylen...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
Show InChI InChI=1S/C19H18N2O3S/c1-13-2-4-14(5-3-13)16-7-6-15(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12-
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n/an/an/an/a 7.86E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32323
PNG
(MLS000685782 | N-[3-(3-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C17H13N5O2/c1-11-19-20-16-8-7-14(21-22(11)16)12-4-2-5-13(10-12)18-17(23)15-6-3-9-24-15/h2-10H,1H3,(H,18,23)
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n/an/an/an/a 5.17E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/an/an/a 3.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32276
PNG
(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Show SMILES CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-13-9-7-11(18-2)12(19-3)8-10(9)16-14(20)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,20)
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n/an/an/an/a 3.81E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32277
PNG
((m-anisylideneamino)-([1,2,4]triazolo[3,4-a]phthal...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
Show InChI InChI=1S/C17H14N6O/c1-24-13-6-4-5-12(9-13)10-18-20-16-14-7-2-3-8-15(14)17-21-19-11-23(17)22-16/h2-9,11H,10H2,1H3
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n/an/an/an/a 2.04E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32298
PNG
((E)-1-phenyl-3-[5-(p-tolyl)-2-furyl]prop-2-en-1-on...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
Show InChI InChI=1S/C20H16O2/c1-15-7-9-17(10-8-15)20-14-12-18(22-20)11-13-19(21)16-5-3-2-4-6-16/h2-14H,1H3/b13-11+
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n/an/an/an/a 5.19E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32309
PNG
(6-(2,4-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-19(20(13-14)27-2)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.28E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32314
PNG
(2-[4-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)prop...)
Show SMILES OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
Show InChI InChI=1S/C21H32N2O/c24-15-14-23-12-10-22(11-13-23)9-3-8-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16,24H,1-15H2
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n/an/an/an/a 1.62E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
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n/an/an/an/a 5.86E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32326
PNG
(4-amino-6,7-dimethoxy-3-(2-phenylethyl)-2-quinazol...)
Show SMILES COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
Show InChI InChI=1S/C18H19N3O2S/c1-22-15-10-13-14(11-16(15)23-2)20-18(24)21(17(13)19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9,19H2,1-2H3
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n/an/an/an/a 1.01E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32261
PNG
(MLS000081169 | N,N-diethyl-4-(3-pyridin-3-yl-[1,2,...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C18H18N6S/c1-3-23(4-2)15-9-7-13(8-10-15)17-22-24-16(20-21-18(24)25-17)14-6-5-11-19-12-14/h5-12H,3-4H2,1-2H3
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n/an/an/an/a 7.92E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32262
PNG
(5-benzyl-8-methyl-3-(methylthio)-[1,2,4]triazin[5,...)
Show SMILES CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C18H16N4S/c1-12-8-9-15-14(10-12)16-17(19-18(23-2)21-20-16)22(15)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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n/an/an/an/a 2.06E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32266
PNG
(2,3-bis(2-furyl)-N-homoveratryl-quinoxaline-6-carb...)
Show SMILES COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-32-21-10-7-17(15-24(21)33-2)11-12-28-27(31)18-8-9-19-20(16-18)30-26(23-6-4-14-35-23)25(29-19)22-5-3-13-34-22/h3-10,13-16H,11-12H2,1-2H3,(H,28,31)
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n/an/an/an/a 2.07E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32272
PNG
(MLS000119995 | N-butyl-2,3-bis(2-furanyl)-6-quinox...)
Show SMILES CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C21H19N3O3/c1-2-3-10-22-21(25)14-8-9-15-16(13-14)24-20(18-7-5-12-27-18)19(23-15)17-6-4-11-26-17/h4-9,11-13H,2-3,10H2,1H3,(H,22,25)
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n/an/an/an/a 2.53E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM29658
PNG
(MLS000557330 | N-[3-Cyano-1-furan-2-ylmethyl-8-met...)
Show SMILES Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Show InChI InChI=1S/C26H19N5O3/c1-16-6-3-8-18(12-16)25(32)29-23-19(14-27)13-21-24(31(23)15-20-9-5-11-34-20)28-22-17(2)7-4-10-30(22)26(21)33/h3-13H,15H2,1-2H3/b29-23+
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n/an/an/an/a 5.04E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32293
PNG
(9-Hydroxy-5H-5,8,12a-triaza-benzo[c]phenanthrene-6...)
Show SMILES Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
Show InChI InChI=1S/C15H9N3O3/c19-10-6-3-7-18-12-8-4-1-2-5-9(8)16-14(20)11(12)15(21)17-13(10)18/h1-7,19H,(H,16,20)
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n/an/an/an/a 1.37E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32299
PNG
(2-[(2Z)-2-[(2E)-2-[[3-(2-hydroxyethyl)-5-methoxy-1...)
Show SMILES CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Show InChI InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
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n/an/an/an/a 1.92E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32306
PNG
(2-[(4-chloranyl-3-methyl-phenoxy)methyl]imidazo[1,...)
Show SMILES Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
Show InChI InChI=1S/C14H12ClN3O/c1-10-7-12(3-4-13(10)15)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9H2,1H3
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n/an/an/an/a 1.79E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32311
PNG
(MLS000390291 | SMR000259554 | cid_7125637)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
Show InChI InChI=1S/C23H19N3O3S/c24-19-18-17(16-4-2-10-29-16)15-8-5-12(11-14-3-1-9-28-14)20(15)26-23(18)30-21(19)22(27)25-13-6-7-13/h1-4,9-11,13H,5-8,24H2,(H,25,27)/b12-11-
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n/an/an/an/a 9.01E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
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n/an/an/an/a 390n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 2.64E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32269
PNG
(3-(3-pyridinyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo...)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1 |c:15|
Show InChI InChI=1S/C13H9N5S2/c1-3-9(7-14-5-1)12-15-16-13-18(12)17-10(8-20-13)11-4-2-6-19-11/h1-7H,8H2
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n/an/an/an/a 7.17E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32282
PNG
(2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinox...)
Show SMILES CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H29N5O4S/c1-3-35-14-8-13-31-22(27)20(21-23(31)29-17-11-6-5-10-16(17)28-21)24(32)30-25-19(26(33)34-2)15-9-4-7-12-18(15)36-25/h5-6,10-11H,3-4,7-9,12-14,27H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.97E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32284
PNG
((6E)-2-methoxy-6-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
Show InChI InChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a 570n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32288
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(4-pyrid...)
Show SMILES CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-6-8-15-9-7-11)14-12-4-2-3-5-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 2.64E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32291
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(3-pyrid...)
Show SMILES CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 1.92E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32321
PNG
(2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-2-1-11-19-20-14(22(11)21-13)10-3-5-16-6-4-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 2.22E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32322
PNG
(2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-5-4-11-19-20-14(22(11)21-13)10-3-1-2-6-16-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 1.13E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32324
PNG
(6-(2-methoxy-5-methyl-phenyl)benzo[d][2]benzazepin...)
Show SMILES COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
Show InChI InChI=1S/C22H17NO3/c1-14-11-12-20(26-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.87E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32330
PNG
((2Z)-2-(5-fluoranyl-2-oxidanylidene-indol-3-yl)-2-...)
Show SMILES Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
Show InChI InChI=1S/C14H8FN3OS/c1-7-6-20-14(17-7)10(5-16)12-9-4-8(15)2-3-11(9)18-13(12)19/h2-4,6H,1H3,(H,18,19)
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n/an/an/an/a 1.66E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32259
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(4-methyl...)
Show SMILES Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Show InChI InChI=1S/C15H13N5S2/c1-9-3-4-16-12(7-9)19-14-18-11(8-22-14)13-10(2)17-15-20(13)5-6-21-15/h3-8H,1-2H3,(H,16,18,19)
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n/an/an/an/a 2.40E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32035
PNG
(MLS000080234 | SMR000040438 | cid_659413)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
Show InChI InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2
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n/an/an/an/a 1.02E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32260
PNG
(6-(4-ethoxyphenyl)-3-(2-pyridinyl)-7H-[1,2,4]triaz...)
Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:10|
Show InChI InChI=1S/C17H15N5OS/c1-2-23-13-8-6-12(7-9-13)15-11-24-17-20-19-16(22(17)21-15)14-5-3-4-10-18-14/h3-10H,2,11H2,1H3
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n/an/an/an/a 1.43E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32264
PNG
(4-(1-azepanyl)-2-(2-pyridinyl)quinazoline | 4-(aze...)
Show SMILES C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C19H20N4/c1-2-8-14-23(13-7-1)19-15-9-3-4-10-16(15)21-18(22-19)17-11-5-6-12-20-17/h3-6,9-12H,1-2,7-8,13-14H2
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n/an/an/an/a 2.19E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM29644
PNG
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/an/an/a 1.89E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32281
PNG
(6-(3,4-Dimethoxy-phenyl)-3-furan-2-yl-7H-[1,2,4]tr...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
Show InChI InChI=1S/C16H14N4O3S/c1-21-12-6-5-10(8-14(12)22-2)11-9-24-16-18-17-15(20(16)19-11)13-4-3-7-23-13/h3-8H,9H2,1-2H3
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n/an/an/an/a 2.85E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32287
PNG
((5E)-5-[[5-(2-chlorophenyl)-2-furanyl]methylidene]...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
Show InChI InChI=1S/C19H16ClNO3S2/c20-15-6-2-1-5-14(15)16-8-7-12(24-16)10-17-18(22)21(19(25)26-17)11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2/b17-10+
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n/an/an/an/a 1.55E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32297
PNG
(MLS000553768 | N-(2-furanylmethyl)-N-[2-[[(E)-(3-m...)
Show SMILES COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
Show InChI InChI=1S/C21H21N3O6S/c1-29-20-12-16(9-10-19(20)25)13-22-23-21(26)15-24(14-17-6-5-11-30-17)31(27,28)18-7-3-2-4-8-18/h2-13,25H,14-15H2,1H3,(H,23,26)
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n/an/an/an/a 1.84E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32302
PNG
(1H-benzimidazol-2-yl-[(2-chloro-3-quinolyl)methyle...)
Show SMILES Clc1nc2ccccc2cc1CN=Nc1nc2ccccc2[nH]1 |w:13.15|
Show InChI InChI=1S/C17H12ClN5/c18-16-12(9-11-5-1-2-6-13(11)20-16)10-19-23-17-21-14-7-3-4-8-15(14)22-17/h1-9H,10H2,(H,21,22)
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n/an/an/an/a 4.97E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32308
PNG
((Z)-1-phenyl-3-(5-phenyl-2-furanyl)-2-propen-1-one...)
Show SMILES O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14O2/c20-18(15-7-3-1-4-8-15)13-11-17-12-14-19(21-17)16-9-5-2-6-10-16/h1-14H/b13-11-
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n/an/an/an/a 9.36E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32310
PNG
(MLS000390238 | SMR000259502 | cid_6311834)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
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n/an/an/an/a 6.11E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32317
PNG
(2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N'-[(...)
Show SMILES COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
Show InChI InChI=1S/C20H19N3O4S/c1-12-8-18(15-4-3-5-17(27-2)20(15)22-12)28-11-19(26)23-21-10-13-6-7-14(24)9-16(13)25/h3-10,24-25H,11H2,1-2H3,(H,23,26)
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n/an/an/an/a 8.36E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM29643
PNG
((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
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n/an/an/an/a 1.86E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
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n/an/an/an/a 1.00E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32279
PNG
(4-(4-carbethoxyanilino)quinazoline-2-carboxylic ac...)
Show SMILES CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
Show InChI InChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
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n/an/an/an/a 2.97E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32283
PNG
(2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...)
Show SMILES COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C25H27N5O4S/c1-33-13-7-12-30-21(26)19(20-22(30)28-16-10-5-4-9-15(16)27-20)23(31)29-24-18(25(32)34-2)14-8-3-6-11-17(14)35-24/h4-5,9-10H,3,6-8,11-13,26H2,1-2H3,(H,29,31)
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n/an/an/an/a 3.32E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32289
PNG
(2-[(1-prop-2-ynyl-3-indolyl)methylidene]indene-1,3...)
Show SMILES O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C21H13NO2/c1-2-11-22-13-14(15-7-5-6-10-19(15)22)12-18-20(23)16-8-3-4-9-17(16)21(18)24/h1,3-10,12-13H,11H2
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n/an/an/an/a 1.17E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32290
PNG
(6-(2-ethoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-...)
Show SMILES CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(13.76,-.07,;12.9,1.21,;11.36,1.09,;10.49,2.36,;11.16,3.75,;10.29,5.02,;8.76,4.91,;8.09,3.52,;8.96,2.25,;8.29,.86,;9.25,-.34,;10.75,-0,;8.91,-1.84,;10.25,-2.73,;10.14,-4.33,;8.69,-5.02,;7.38,-4.11,;7.52,-2.51,;6.13,-1.84,;4.97,-2.95,;3.44,-2.49,;3.08,-.93,;4.26,.15,;5.79,-.34,;6.75,.86,;6.08,2.25,)|
Show InChI InChI=1S/C22H17NO3/c1-2-26-20-14-8-7-13-19(20)23-21(24)17-11-5-3-9-15(17)16-10-4-6-12-18(16)22(23)25/h3-14H,2H2,1H3
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n/an/an/an/a 2.65E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32296
PNG
((E)-1-(4-methylphenyl)-3-[5-(4-methylphenyl)-2-fur...)
Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)20(22)13-11-19-12-14-21(23-19)18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+
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n/an/an/an/a 2.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32303
PNG
(4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...)
Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3
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n/an/an/an/a 5.09E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32304
PNG
(6-(2,5-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-20(27-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.76E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32312
PNG
((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Show SMILES COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C23H24O7/c1-27-17-9-13(10-18(28-2)22(17)25)7-15-5-6-16(21(15)24)8-14-11-19(29-3)23(26)20(12-14)30-4/h7-12,25-26H,5-6H2,1-4H3/b15-7+,16-8+
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n/an/an/an/a 3.02E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
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n/an/an/an/a 1.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32328
PNG
(4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C18H20N4O4S2/c1-25-15-9-13-14(10-16(15)26-2)21-18(27)22-17(13)20-8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H2,20,21,22,27)
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n/an/an/an/a 510n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32263
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
Show InChI InChI=1S/C20H16N6S/c1-13-11-17(22-21-13)19-23-24-20-26(19)25-18(12-27-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
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n/an/an/an/a 1.17E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32268
PNG
(6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...)
Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)
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n/an/an/an/a 3.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32275
PNG
((4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-py...)
Show SMILES Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
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n/an/an/an/a 1.81E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32278
PNG
((6-anilino-2-pyridyl)-phenyl-amine | 2-N,6-N-diphe...)
Show SMILES N(c1ccccc1)c1cccc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N3/c1-3-8-14(9-4-1)18-16-12-7-13-17(20-16)19-15-10-5-2-6-11-15/h1-13H,(H2,18,19,20)
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n/an/an/an/a 6.98E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32286
PNG
(4-(4-carbomethoxyanilino)quinazoline-2-carboxylic ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
Show InChI InChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 1.36E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32305
PNG
(2-[(4-methylphenoxy)methyl]imidazo[1,2-a]pyrimidin...)
Show SMILES Cc1ccc(OCc2cn3cccnc3n2)cc1
Show InChI InChI=1S/C14H13N3O/c1-11-3-5-13(6-4-11)18-10-12-9-17-8-2-7-15-14(17)16-12/h2-9H,10H2,1H3
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n/an/an/an/a 4.61E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32307
PNG
(4-chloro-3-nitro-benzoic acid [4-keto-6-[[(4-methy...)
Show SMILES Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C18H12ClN3O6S/c1-10-4-5-20-18(21-10)29-9-12-7-15(23)16(8-27-12)28-17(24)11-2-3-13(19)14(6-11)22(25)26/h2-8H,9H2,1H3
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n/an/an/an/a 1.96E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32315
PNG
(CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)
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n/an/an/an/a 2.12E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32327
PNG
(4-amino-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)qu...)
Show SMILES COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
Show InChI InChI=1S/C17H24N4O3S/c1-22-14-10-12-13(11-15(14)23-2)19-17(25)21(16(12)18)5-3-4-20-6-8-24-9-7-20/h10-11H,3-9,18H2,1-2H3
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n/an/an/an/a 1.09E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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n/an/an/an/a 410n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32267
PNG
(6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoli...)
Show SMILES COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20)
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n/an/an/an/a 7.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32270
PNG
(6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazo...)
Show SMILES COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
Show InChI InChI=1S/C15H19N3O3S/c1-19-12-6-10-11(7-13(12)20-2)17-15(22)18-14(10)16-8-9-4-3-5-21-9/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,18,22)
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n/an/an/an/a 4.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32285
PNG
((4E)-2-methoxy-4-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
Show InChI InChI=1S/C17H14N6O2/c1-25-15-8-11(6-7-14(15)24)9-18-20-16-12-4-2-3-5-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a 2.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32292
PNG
(5-Bromo-nicotinic acid [1-[5-(2-nitro-phenyl)-fura...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1
Show InChI InChI=1S/C17H11BrN4O4/c18-12-7-11(8-19-9-12)17(23)21-20-10-13-5-6-16(26-13)14-3-1-2-4-15(14)22(24)25/h1-10H,(H,21,23)
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n/an/an/an/a 2.83E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32294
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[[(E)-3-...)
Show SMILES CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
Show InChI InChI=1S/C17H15N3O2S/c1-20(18-13-7-10-14-8-3-2-4-9-14)17-15-11-5-6-12-16(15)23(21,22)19-17/h2-13H,1H3/b10-7+,18-13?
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n/an/an/an/a 2.82E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32295
PNG
((5Z)-3-ethyl-5-[(2E)-2-(1-ethyl-4-quinolinylidene)...)
Show SMILES CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
Show InChI InChI=1S/C18H18N2OS2/c1-3-19-12-11-13(14-7-5-6-8-15(14)19)9-10-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3/b13-9+,16-10-
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n/an/an/an/a 2.96E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32300
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-phenyl-...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H13N5S/c1-11-14(21-9-5-8-17-15(21)18-11)13-10-22-16(20-13)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 1.01E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32320
PNG
(MLS000766035 | SMR000279741 | cid_776370)
Show SMILES O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
Show InChI InChI=1S/C18H14N2O2/c21-17-11-5-1-2-6-12(11)18-15-13(19-22-18)7-8-14(16(15)17)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.31E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%