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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50318189'   
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))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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PC cid
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.50E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-XL by surface plasma resonance based biosensor system


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair