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BDBM50265561 CHEMBL4073833

SMILES: Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1

InChI Key: InChIKey=BDGKKHWJYBQRIE-HHHXNRCGSA-N

Data: 5 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 6 hits for monomerid = 50265561   
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
Eukaryotic initiation factor 4A-I


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of eIF4G-induced full-length human recombinant His6-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) us...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-II


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of eIF4G-induced human recombinant His6-tagged eIF4A2 RNA dependent ATPase activity using single stranded poly(U) RNA as substrate after 4...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DHX29


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells us...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using si...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of MLN51-induced full-length human recombinant His6-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) us...


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair
Eukaryotic initiation factor 4A-III


(Homo sapiens (Human))
BDBM50265561
PNG
(CHEMBL4073833)
Show SMILES Cc1c(cnn1-c1cccc(c1)C#N)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
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n/an/an/a 43n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to full-length human recombinant His6-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay


J Med Chem 60: 3335-3351 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01904
BindingDB Entry DOI: 10.7270/Q2GH9MFT
More data for this
Ligand-Target Pair