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Compile Data Set for Download or QSAR

Found 138 hits of Enz. Inhib. data with enzyme = 'BCL-W' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCL-W


(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 1.57E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33038
PNG
(Acetic acid 4-(2,3-dihydro-1H-perimidin-2-yl)-2-me...)
Show SMILES COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C20H18N2O3/c1-12(23)25-17-10-9-14(11-18(17)24-2)20-21-15-7-3-5-13-6-4-8-16(22-20)19(13)15/h3-11,20-22H,1-2H3
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n/an/an/an/a 1.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 8.37E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33040
PNG
(MLS000039339 | SMR000037955 | cid_660641)
Show SMILES COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
Show InChI InChI=1S/C21H19N3O4S2/c1-21(2)7-11-12(8-28-21)16(13-5-4-6-27-13)24-19-15(11)17-18(30-19)20(23-10-22-17)29-9-14(25)26-3/h4-6,10H,7-9H2,1-3H3
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n/an/an/an/a 3.40E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33041
PNG
(2-amino-6-(5-methyl-2-furanyl)-4-(4-methylphenyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H15N3O/c1-11-3-6-13(7-4-11)14-9-16(17-8-5-12(2)22-17)21-18(20)15(14)10-19/h3-9H,1-2H3,(H2,20,21)
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n/an/an/an/a 1.85E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.20E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.11E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.96E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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
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 7.58E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.17E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/an/an/a 6.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.20E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.22E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 3.86E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33048
PNG
((5Z)-5-{[4-(dimethylamino)phenyl]imino}-1-(3-hydro...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O
Show InChI InChI=1S/C18H20N4O3/c1-12-15(11-19)17(24)22(9-4-10-23)18(25)16(12)20-13-5-7-14(8-6-13)21(2)3/h5-8,23H,4,9-10H2,1-3H3/b20-16+
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n/an/an/an/a 550n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33050
PNG
(2,3-bis(2-furanyl)-N-(2-pyridinylmethyl)-6-quinoxa...)
Show SMILES O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H16N4O3/c28-23(25-14-16-5-1-2-10-24-16)15-8-9-17-18(13-15)27-22(20-7-4-12-30-20)21(26-17)19-6-3-11-29-19/h1-13H,14H2,(H,25,28)
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n/an/an/an/a 7.22E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 3.68E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33053
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3
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n/an/an/an/a 3.25E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 4.62E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/an/an/a 1.82E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33056
PNG
(3-amino-N-(2-furanylmethyl)-5-oxo-7,8-dihydro-6H-t...)
Show SMILES Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C17H15N3O3S/c18-14-11-7-10-12(4-1-5-13(10)21)20-17(11)24-15(14)16(22)19-8-9-3-2-6-23-9/h2-3,6-7H,1,4-5,8,18H2,(H,19,22)
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n/an/an/an/a 3.18E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM46311
PNG
(1,3-benzodioxol-5-yl(2,4-dimethylbenzyl)amine | 1,...)
Show SMILES Cc1ccc(CNc2ccc3OCOc3c2)c(C)c1
Show InChI InChI=1S/C16H17NO2/c1-11-3-4-13(12(2)7-11)9-17-14-5-6-15-16(8-14)19-10-18-15/h3-8,17H,9-10H2,1-2H3
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n/an/an/an/a 4.42E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM43200
PNG
(2-(3,4-dimethoxyphenyl)-N-[(4Z)-3-keto-4-(5-methyl...)
Show SMILES COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC
Show InChI InChI=1S/C24H22N2O5/c1-14-4-8-20-18(10-14)26-24(31-20)17-7-6-16(13-19(17)27)25-23(28)12-15-5-9-21(29-2)22(11-15)30-3/h4-11,13,27H,12H2,1-3H3,(H,25,28)
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n/an/an/an/a 1.02E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.36E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33065
PNG
(1-[[2,3-bis(2-furyl)quinoxalin-6-yl]carbamoyl]ison...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H24N4O5/c1-2-32-24(30)16-9-11-29(12-10-16)25(31)26-17-7-8-18-19(15-17)28-23(21-6-4-14-34-21)22(27-18)20-5-3-13-33-20/h3-8,13-16H,2,9-12H2,1H3,(H,26,31)
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n/an/an/an/a 4.93E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 9.95E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.90E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
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n/an/an/an/a 50n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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
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 40n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33070
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxy-phenol ...)
Show SMILES CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
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n/an/an/an/a 3.17E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM31713
PNG
(1-Cyclopropyl-3-(2,3-di-furan-2-yl-quinoxalin-6-yl...)
Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H16N4O3/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)
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n/an/an/an/a 1.64E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.85E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33071
PNG
(2,3-Di-furan-2-yl-quinoxaline-6-carboxylic acid (2...)
Show SMILES OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C19H15N3O4/c23-8-7-20-19(24)12-5-6-13-14(11-12)22-18(16-4-2-10-26-16)17(21-13)15-3-1-9-25-15/h1-6,9-11,23H,7-8H2,(H,20,24)
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n/an/an/an/a 1.12E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33072
PNG
(1,2,3-trimethyl-2,3-dihydro-1H-perimidine | 1,2,3-...)
Show SMILES CC1N(C)c2cccc3cccc(N1C)c23
Show InChI InChI=1S/C14H16N2/c1-10-15(2)12-8-4-6-11-7-5-9-13(14(11)12)16(10)3/h4-10H,1-3H3
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n/an/an/an/a 2.26E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33075
PNG
(2,3-bis(2-furanyl)-N-[3-(trifluoromethyl)phenyl]-6...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)15-4-1-5-16(13-15)28-23(31)14-8-9-17-18(12-14)30-22(20-7-3-11-33-20)21(29-17)19-6-2-10-32-19/h1-13H,(H,28,31)
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n/an/an/an/a 9.02E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33076
PNG
(2,3-bis(2-furanyl)-6-methoxyquinoxaline | 2,3-bis(...)
Show SMILES COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C17H12N2O3/c1-20-11-6-7-12-13(10-11)19-17(15-5-3-9-22-15)16(18-12)14-4-2-8-21-14/h2-10H,1H3
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n/an/an/an/a 2.83E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33078
PNG
(MLS000530834 | N-(tert-butyl)-2-(4-{[(2-oxo-2,3-di...)
Show SMILES CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C20H24N4O3/c1-20(2,3)24-18(25)12-27-15-7-4-13(5-8-15)11-21-14-6-9-16-17(10-14)23-19(26)22-16/h4-10,21H,11-12H2,1-3H3,(H,24,25)(H2,22,23,26)
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n/an/an/an/a 6.29E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33079
PNG
(2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-ben...)
Show SMILES COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H25BrN4O4/c1-21(2,3)26-18(27)11-30-19-14(22)7-12(8-17(19)29-4)10-23-13-5-6-15-16(9-13)25-20(28)24-15/h5-9,23H,10-11H2,1-4H3,(H,26,27)(H2,24,25,28)
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n/an/an/an/a 1.47E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM32277
PNG
((m-anisylideneamino)-([1,2,4]triazolo[3,4-a]phthal...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1
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 2.43E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.58E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33084
PNG
(5-[4-(dimethylamino)phenyl]imino-1-(2-hydroxyethyl...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O
Show InChI InChI=1S/C17H18N4O3/c1-11-14(10-18)16(23)21(8-9-22)17(24)15(11)19-12-4-6-13(7-5-12)20(2)3/h4-7,22H,8-9H2,1-3H3/b19-15+
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n/an/an/an/a 1.44E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM46312
PNG
(4-(3-isopropoxypropylamino)-6,7-dimethoxy-1H-quina...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCCOC(C)C)c2cc1OC
Show InChI InChI=1S/C16H23N3O3S/c1-10(2)22-7-5-6-17-15-11-8-13(20-3)14(21-4)9-12(11)18-16(23)19-15/h8-10H,5-7H2,1-4H3,(H2,17,18,19,23)
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n/an/an/an/a 9.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.67E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33087
PNG
(2,3-bis(2-furanyl)-N-(phenylmethyl)-6-quinoxalinec...)
Show SMILES O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C24H17N3O3/c28-24(25-15-16-6-2-1-3-7-16)17-10-11-18-19(14-17)27-23(21-9-5-13-30-21)22(26-18)20-8-4-12-29-20/h1-14H,15H2,(H,25,28)
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n/an/an/an/a 6.03E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 3.97E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 4.13E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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
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 4.24E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 1.80E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 2.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33089
PNG
((3-methyl-4-pyrrolidino-phenyl)amine;hydrochloride...)
Show SMILES Cc1cc(N)ccc1N1CCCC1
Show InChI InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
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n/an/an/an/a 3.96E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
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