Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50330256' 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50330256
(5,5'-Bis(4-chlorobenzyl)-6,6',7,7''-tetrahydroxy-3...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)| Show InChI InChI=1S/C36H24Cl2O8/c1-15-27(35(45)23-13-25(39)33(43)21(29(23)31(15)41)11-17-3-7-19(37)8-4-17)28-16(2)32(42)30-22(12-18-5-9-20(38)10-6-18)34(44)26(40)14-24(30)36(28)46/h3-14,39-46H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 230 | 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 Bcl-2 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 | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50330256
(5,5'-Bis(4-chlorobenzyl)-6,6',7,7''-tetrahydroxy-3...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)| Show InChI InChI=1S/C36H24Cl2O8/c1-15-27(35(45)23-13-25(39)33(43)21(29(23)31(15)41)11-17-3-7-19(37)8-4-17)28-16(2)32(42)30-22(12-18-5-9-20(38)10-6-18)34(44)26(40)14-24(30)36(28)46/h3-14,39-46H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | 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 Bcl-2 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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