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BDBM50330247 6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-1,1',4,4'-tetraone::CHEMBL1272170

SMILES: CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12

InChI Key: InChIKey=GGYQHFGLPBFNRN-UHFFFAOYSA-N

Data: 4 KI  4 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50330247   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity Bcl-xL by isothermal titration calorimetry 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))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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250n/an/an/an/an/an/an/an/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
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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PubMed
1.47E+3n/an/an/an/an/an/an/an/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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430n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-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-like protein 1


(Homo sapiens)
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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420n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bcl-xL 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))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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n/an/a 370n/an/an/an/an/an/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
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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PubMed
n/an/a 2.17E+3n/an/an/an/an/an/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Mcl-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-like protein 1


(Homo sapiens)
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bcl-xL 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