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Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'Apoptosis Regulator Bcl-xL' 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
Apoptosis Regulator Bcl-xL


(Homo sapiens)
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 1.52E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2862DWJ
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM33183
PNG
(5-[[5-(5-chloranyl-2-nitro-phenyl)furan-2-yl]methy...)
Show SMILES [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C15H8ClN3O6/c16-7-1-3-11(19(23)24)9(5-7)12-4-2-8(25-12)6-10-13(20)17-15(22)18-14(10)21/h1-6H,(H2-,17,18,20,21,22)
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n/an/an/an/a 2.64E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2862DWJ
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM54717
PNG
(4-bromanyl-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-en...)
Show SMILES CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O
Show InChI InChI=1S/C19H24BrNO4/c1-21-15-9-8-13(20)11-14(18(15)23)16(22)10-7-12-5-4-6-17(24-2)19(12)25-3/h4-7,10,13-15,21H,8-9,11H2,1-3H3
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n/an/an/an/a 4.55E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2862DWJ
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM33199
PNG
(3-benzyl-7-methyl-8-(5-methyl-2-furyl)xanthine | 3...)
Show SMILES Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
Show InChI InChI=1S/C18H16N4O3/c1-11-8-9-13(25-11)15-19-16-14(21(15)2)17(23)20-18(24)22(16)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,23,24)
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n/an/an/an/a 4.36E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2862DWJ
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
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 1.84E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2862DWJ
More data for this
Ligand-Target Pair