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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50195320   
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))
BDBM50195320
PNG
(CHEMBL3980363)
Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H28N4O7S2/c1-42-29-10-6-5-7-22(29)13-18-30(36)33-24-14-11-23(12-15-24)31(37)34-44(40,41)26-16-17-27(28(21-26)35(38)39)32-19-20-43-25-8-3-2-4-9-25/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+
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Article
PubMed
90n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50195320
PNG
(CHEMBL3980363)
Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H28N4O7S2/c1-42-29-10-6-5-7-22(29)13-18-30(36)33-24-14-11-23(12-15-24)31(37)34-44(40,41)26-16-17-27(28(21-26)35(38)39)32-19-20-43-25-8-3-2-4-9-25/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+
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Article
PubMed
720n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50195320
PNG
(CHEMBL3980363)
Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H28N4O7S2/c1-42-29-10-6-5-7-22(29)13-18-30(36)33-24-14-11-23(12-15-24)31(37)34-44(40,41)26-16-17-27(28(21-26)35(38)39)32-19-20-43-25-8-3-2-4-9-25/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+
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NCI pathway
KEGG

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PC cid
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UniChem

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Article
PubMed
8.60E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair