Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM50330255' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50330255
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(3-ph...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)| Show InChI InChI=1S/C40H34O8/c1-21-31(39(47)27-19-29(41)37(45)25(33(27)35(21)43)17-9-15-23-11-5-3-6-12-23)32-22(2)36(44)34-26(18-10-16-24-13-7-4-8-14-24)38(46)30(42)20-28(34)40(32)48/h3-8,11-14,17-20,41-48H,1-2,9-10,15-16H2 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay |
J Med Chem 53: 8000-11 (2010)
Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7 |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50330255
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(3-ph...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)| Show InChI InChI=1S/C40H34O8/c1-21-31(39(47)27-19-29(41)37(45)25(33(27)35(21)43)17-9-15-23-11-5-3-6-12-23)32-22(2)36(44)34-26(18-10-16-24-13-7-4-8-14-24)38(46)30(42)20-28(34)40(32)48/h3-8,11-14,17-20,41-48H,1-2,9-10,15-16H2 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay |
J Med Chem 53: 8000-11 (2010)
Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7 |
More data for this
Ligand-Target Pair | |
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