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BDBM209909 US9273014, Comparative Compound 45::US9427442, Comparative Compound 26

SMILES: CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O

InChI Key: InChIKey=RTMFXQXENIODOP-PIBDYAPNSA-N

Data: 1 KI  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 209909   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Presenilin-1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Notch 3-CBF1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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US Patent
n/an/a 48.3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9273014 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DVX
More data for this
Ligand-Target Pair
Notch 1-CBF1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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n/an/a 64.1n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9427442 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP452P
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]L685458 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


Article DOI: 10.1074/jbc.m707002200
BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]IN973 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


Article DOI: 10.1074/jbc.m707002200
BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair
Notch 1-CBF1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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n/an/a 64.1n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9273014 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DVX
More data for this
Ligand-Target Pair
Notch 3-CBF1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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n/an/a 48.3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...


US Patent US9427442 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP452P
More data for this
Ligand-Target Pair