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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50011378   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50547490
PNG
(CHEMBL4756429)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:25|
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/a 66n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547489
PNG
(CHEMBL4758680)
Show SMILES ONC(=O)CCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:24|
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547492
PNG
(CHEMBL4779693)
Show SMILES ONC(=O)c1ccc(COc2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:24|
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n/an/a 85n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547484
PNG
(CHEMBL4780328)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:26|
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PC sid
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n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547485
PNG
(CHEMBL4753330)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:27|
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PC sid
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n/an/a 99n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547488
PNG
(CHEMBL4797324)
Show SMILES ONC(=O)CCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:23|
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PC sid
UniChem
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n/an/a 119n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 129n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50547491
PNG
(CHEMBL4784916)
Show SMILES ONC(=O)CCCCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:26|
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/a 198n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547483
PNG
(CHEMBL4778142)
Show SMILES ONC(=O)CCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:25|
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PC cid
PC sid
UniChem
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n/an/a 207n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547493
PNG
(CHEMBL4776616)
Show SMILES ONC(=O)\C=C\c1ccc(COc2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/a 244n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Activation of BAX (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547482
PNG
(CHEMBL4754714)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:18|
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n/an/a 577n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547487
PNG
(CHEMBL4761391)
Show SMILES ONC(=O)CCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:22|
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n/an/a 675n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547486
PNG
(CHEMBL4790418)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:28|
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n/an/a 1.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 2.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547494
PNG
(CHEMBL4783072)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1ncc(s1)-c1ccccc1 |c:14|
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Activation of BAX (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547481
PNG
(CHEMBL4777011)
Show SMILES OC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:17|
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UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
PDB

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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547481
PNG
(CHEMBL4777011)
Show SMILES OC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:17|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 704n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547482
PNG
(CHEMBL4754714)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:18|
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n/an/an/an/a 874n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547483
PNG
(CHEMBL4778142)
Show SMILES ONC(=O)CCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:25|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 719n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547484
PNG
(CHEMBL4780328)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:26|
PDB

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 809n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547485
PNG
(CHEMBL4753330)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:27|
PDB

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n/an/an/an/a 1.14E+3n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/an/an/a 393n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547486
PNG
(CHEMBL4790418)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:28|
PDB

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n/an/an/an/a 2.22E+3n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547487
PNG
(CHEMBL4761391)
Show SMILES ONC(=O)CCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:22|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 725n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547488
PNG
(CHEMBL4797324)
Show SMILES ONC(=O)CCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:23|
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UniProtKB/SwissProt

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n/an/an/an/a 967n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547489
PNG
(CHEMBL4758680)
Show SMILES ONC(=O)CCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:24|
PDB

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 925n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547490
PNG
(CHEMBL4756429)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:25|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 856n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547491
PNG
(CHEMBL4784916)
Show SMILES ONC(=O)CCCCCCCOc1ccc(cc1)-c1csc(n1)N1N=C(\C(=N\Nc2nccs2)C1=O)c1ccccc1 |c:26|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
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n/an/an/an/a 532n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547492
PNG
(CHEMBL4779693)
Show SMILES ONC(=O)c1ccc(COc2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:24|
PDB

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 538n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547493
PNG
(CHEMBL4776616)
Show SMILES ONC(=O)\C=C\c1ccc(COc2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 992n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/an/an/a 278n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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antibodypedia
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Bcl2 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Bcl2 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Bcl-xl (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
PDB
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UniProtKB/SwissProt

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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Mcl1 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50547479
PNG
(CHEMBL4794290)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Mcl1 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50547480
PNG
(CHEMBL4790235)
Show SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
PDB
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Binding affinity to full length His-tagged Bcl-xl (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01454
BindingDB Entry DOI: 10.7270/Q2N301J4
More data for this
Ligand-Target Pair