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PubMed code 13678404

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50088360
PNG
(2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | 2,...)
Show SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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CHEBI
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Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50133355
PNG
(2,3,8-Trihydroxy-9-oxo-9H-benzocycloheptene-6-carb...)
Show SMILES COC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
Show InChI InChI=1S/C13H10O6/c1-19-13(18)7-2-6-3-9(14)10(15)5-8(6)12(17)11(16)4-7/h2-5,14-15H,1H3,(H,16,17)
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50133357
PNG
(2,3,8-Trihydroxy-9-oxo-9H-benzocycloheptene-6-carb...)
Show SMILES OC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
Show InChI InChI=1S/C12H8O6/c13-8-2-5-1-6(12(17)18)3-10(15)11(16)7(5)4-9(8)14/h1-4,13-14H,(H,15,16)(H,17,18)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50133353
PNG
(2,3,8-Trihydroxy-9-oxo-9H-benzocycloheptene-6-carb...)
Show SMILES CCOC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
Show InChI InChI=1S/C14H12O6/c1-2-20-14(19)8-3-7-4-10(15)11(16)6-9(7)13(18)12(17)5-8/h3-6,15-16H,2H2,1H3,(H,17,18)
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PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50133356
PNG
(2-Hydroxy-3,4,6-trimethoxy-benzocyclohepten-5-one ...)
Show SMILES COc1c(O)cc2cccc(OC)c(=O)c2c1OC
Show InChI InChI=1S/C14H14O5/c1-17-10-6-4-5-8-7-9(15)13(18-2)14(19-3)11(8)12(10)16/h4-7,15H,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50133358
PNG
(2,3,4,6-Tetramethoxy-benzocyclohepten-5-one | CHEM...)
Show SMILES COc1cc2cccc(OC)c(=O)c2c(OC)c1OC
Show InChI InChI=1S/C15H16O5/c1-17-10-7-5-6-9-8-11(18-2)14(19-3)15(20-4)12(9)13(10)16/h5-8H,1-4H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Bcl-xl


J Med Chem 46: 4259-64 (2003)


Article DOI: 10.1021/jm030190z
BindingDB Entry DOI: 10.7270/Q2F47PWM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%