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BDBM50330254 6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenethyl-2,2'-binaphthyl-1,1',4,4'-tetraone::CHEMBL1269075

SMILES: Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O

InChI Key: InChIKey=FDAUMAPDGONGQR-UHFFFAOYSA-N

Data: 4 KI  4 IC50

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 8 hits for monomerid = 50330254   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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870n/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 (Human))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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1.20E+3n/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))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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1.73E+3n/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))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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6.47E+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))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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n/an/a 1.29E+3n/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 (Human))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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n/an/a 1.79E+3n/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))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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n/an/a 2.57E+3n/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))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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n/an/a 9.72E+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