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BDBM154564 N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide (20)

SMILES: CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C

InChI Key: InChIKey=CNTJLQUUYDXEFL-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 154564   
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
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB
MMDB

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UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/a8.01,117.6



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.01,117.6



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB
MMDB

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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.01,117.6



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 1 (PHF1)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0844.45



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0571.3



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0844.45



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0571.3



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0571.3



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0571.3



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 19 (PHF19)


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0844.45



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair