BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bcl-xL/BAK' and Ligand = 'BDBM50293171'   
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-xL/BAK


(Homo sapiens)
BDBM50293171
PNG
((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...)
Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4
Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



MerLion Pharmaceuticals Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay


Bioorg Med Chem Lett 18: 5771-3 (2009)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50293171
PNG
((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...)
Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4
Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.77E+5n/an/an/an/an/a



MerLion Pharmaceuticals Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay


Bioorg Med Chem Lett 18: 5771-3 (2009)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50293171
PNG
((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...)
Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4
Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.99E+5n/an/an/an/an/a



MerLion Pharmaceuticals Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of interaction between Bcl-xl and Bak by surface plasmon resonance assay


Bioorg Med Chem Lett 18: 5771-3 (2009)

More data for this
Ligand-Target Pair