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PubMed code 11728179

Compile data set for download or QSAR
Found 12 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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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2.40E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Bcl-2


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107123
PNG
(5,10-Dioxy-2-phenyl-benzo[g]pteridin-4-ylamine | C...)
Show SMILES Nc1nc(nc2[n+]([O-])c3ccccc3[n+]([O-])c12)-c1ccccc1
Show InChI InChI=1S/C16H11N5O2/c17-14-13-16(19-15(18-14)10-6-2-1-3-7-10)21(23)12-9-5-4-8-11(12)20(13)22/h1-9H,(H2,17,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107132
PNG
((2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxyb...)
Show SMILES CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
Show InChI InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Bcl-2


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107128
PNG
(5-Chloro-N-[2-chloro-5-(4-chloro-benzenesulfonyl)-...)
Show SMILES Cc1cc(Cl)cc(C(=O)Nc2cc(ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C20H14Cl3NO4S/c1-11-8-13(22)9-16(19(11)25)20(26)24-18-10-15(6-7-17(18)23)29(27,28)14-4-2-12(21)3-5-14/h2-10,25H,1H3,(H,24,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Bcl-2


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107124
PNG
(2,9-Dimethoxy-11,12-dihydro-dibenzo[c,g][1,2]diazo...)
Show SMILES COc1ccc2N([O-])[N+](=O)c3ccc(OC)cc3CCc2c1
Show InChI InChI=1S/C16H16N2O4/c1-21-13-5-7-15-11(9-13)3-4-12-10-14(22-2)6-8-16(12)18(20)17(15)19/h5-10H,3-4H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Bcl-2 using bromide assay


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107126
PNG
(4-(2-Hydroxy-9H-carbazol-1-ylazo)-benzamidine, HCl...)
Show SMILES NC(=N)c1ccc(cc1)N=Nc1c(O)ccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H15N5O/c20-19(21)11-5-7-12(8-6-11)23-24-18-16(25)10-9-14-13-3-1-2-4-15(13)22-17(14)18/h1-10,22,25H,(H3,20,21)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107127
PNG
(3,12-dibromo-5,10-dihydroanthra[9,1,2-cde]benzo[rs...)
Show SMILES Brc1ccc2c3ccc4c5ccc6c7ccc(Br)cc7c(=O)c7ccc(c8ccc(c3c48)c(=O)c2c1)c5c67
Show InChI InChI=1S/C34H14Br2O2/c35-15-1-3-17-19-5-7-21-22-8-6-20-18-4-2-16(36)14-28(18)34(38)26-12-10-24(30(22)32(20)26)23-9-11-25(31(19)29(21)23)33(37)27(17)13-15/h1-14H
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n/an/a 7.70E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107131
PNG
(2-Amino-6-bromo-4-(cyano-ethoxycarbonyl-methyl)-ch...)
Show SMILES CCOC(=O)C(C#N)C1C(C(N)Oc2ccc(Br)cc12)C(=O)OCC
Show InChI InChI=1S/C17H19BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13-15H,3-4,20H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Bcl-2


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107129
PNG
(7-Methoxy-9-oxo-4a,9,9a,10-tetrahydro-acridine-2-d...)
Show SMILES COc1ccc2NC3C=CC(C=C3C(=O)c2c1)[N+]#N
Show InChI InChI=1S/C14H11N3O2/c1-19-9-3-5-13-11(7-9)14(18)10-6-8(17-15)2-4-12(10)16-13/h2-8,12H,1H3/p+1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107124
PNG
(2,9-Dimethoxy-11,12-dihydro-dibenzo[c,g][1,2]diazo...)
Show SMILES COc1ccc2N([O-])[N+](=O)c3ccc(OC)cc3CCc2c1
Show InChI InChI=1S/C16H16N2O4/c1-21-13-5-7-15-11(9-13)3-4-12-10-14(22-2)6-8-16(12)18(20)17(15)19/h5-10H,3-4H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107125
PNG
(2-bromo-1-[6-(2-bromo-1-pyridiniumyl)-2-naphthyl]p...)
Show SMILES Brc1cccc[n+]1-c1ccc2cc(ccc2c1)-[n+]1ccccc1Br
Show InChI InChI=1S/C20H14Br2N2/c21-19-5-1-3-11-23(19)17-9-7-16-14-18(10-8-15(16)13-17)24-12-4-2-6-20(24)22/h1-14H/q+2
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n/an/a 1.17E+4n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50107133
PNG
(4-(7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoqu...)
Show SMILES O=c1c2ccc(c3cccc(c4nc5ccccc5n14)c23)S(=O)(=O)c1ccc2c3c1cccc3c1nc3ccccc3n1c2=O
Show InChI InChI=1S/C36H18N4O4S/c41-35-23-15-17-29(19-7-5-9-21(31(19)23)33-37-25-11-1-3-13-27(25)39(33)35)45(43,44)30-18-16-24-32-20(30)8-6-10-22(32)34-38-26-12-2-4-14-28(26)40(34)36(24)42/h1-18H
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n/an/a 1.40E+4n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60


J Med Chem 44: 4313-24 (2001)


Article DOI: 10.1021/jm010016f
BindingDB Entry DOI: 10.7270/Q2JW8FKK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%