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2 similar compounds to monomer 109236

Compile data set for download or QSAR
Wt: 552.7
BDBM109235
Wt: 583.7
BDBM50030764
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 109235,50030764   
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 (Human))
BDBM109235
PNG
((E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7...)
Show SMILES OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)
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PC sid
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Article
PubMed
n/an/a 1.5n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030764
PNG
(CHEMBL3342187)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
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CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay


Bioorg Med Chem 23: 1747-57 (2015)


Article DOI: 10.1016/j.bmc.2015.02.060
BindingDB Entry DOI: 10.7270/Q2F191D6
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030764
PNG
(CHEMBL3342187)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
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Article
PubMed
n/an/an/an/a 48n/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) expressed in mcl-1 deficient MEF assessed as induction of cell killing in presence of 10% FBS


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM109235
PNG
((E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7...)
Show SMILES OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair