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BDBM142745 US8937193, 6a

SMILES: CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O

InChI Key: InChIKey=GYYXKPBLWDDQQK-UHFFFAOYSA-N

Data: 4 IC50  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 142745   
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-xL/BAK


(Homo sapiens)
BDBM142745
PNG
(US8937193, 6a)
Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O
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/h7-10,29-30,35-36H,1-6H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 630n/an/an/an/an/an/a



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)...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM142745
PNG
(US8937193, 6a)
Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O
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/h7-10,29-30,35-36H,1-6H3
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 370n/an/an/an/an/an/a



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)...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM142745
PNG
(US8937193, 6a)
Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O
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/h7-10,29-30,35-36H,1-6H3
PDB
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US Patent
n/an/an/a 2.80E+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...


Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM142745
PNG
(US8937193, 6a)
Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O
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/h7-10,29-30,35-36H,1-6H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 540n/an/an/an/an/an/a



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)...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142745
PNG
(US8937193, 6a)
Show SMILES CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O
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/h7-10,29-30,35-36H,1-6H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.17E+3n/an/an/an/an/an/a



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)...


Citation and Details
More data for this
Ligand-Target Pair