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BDBM142754 US8937193, 6f

SMILES: Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1

InChI Key: InChIKey=KPHBSOQOTONLSS-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 142754   
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 (Human))
BDBM142754
PNG
(US8937193, 6f)
Show SMILES Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,17-18,41-42,45-46H,13-16H2,1-4H3
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US Patent
n/an/a 3.10E+3n/an/an/an/an/a25



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM142754
PNG
(US8937193, 6f)
Show SMILES Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,17-18,41-42,45-46H,13-16H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.12E+3n/an/an/an/an/a25



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM142754
PNG
(US8937193, 6f)
Show SMILES Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,17-18,41-42,45-46H,13-16H2,1-4H3
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US Patent
n/an/an/a 2.50E+3n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
The synthesized compounds of Formula I may be screened by one-dimensional 1H nuclear magnetic resonance spectroscopy (1D-1H NMR) binding assays again...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM142754
PNG
(US8937193, 6f)
Show SMILES Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,17-18,41-42,45-46H,13-16H2,1-4H3
PDB
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NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.05E+3n/an/an/an/an/a25



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM142754
PNG
(US8937193, 6f)
Show SMILES Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,17-18,41-42,45-46H,13-16H2,1-4H3
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+4n/an/an/an/an/a25



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair