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BDBM50440605 CHEMBL2424677

SMILES: CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1

InChI Key: InChIKey=DRWIINODRIXUJU-UHFFFAOYSA-N

Data: 11 IC50  2 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 13 hits for monomerid = 50440605   
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
Scm-like with four MBT domains protein 1


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a 140n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a 130n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/an/a 1.32E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL1 (unknown origin) by isothermal titration calorimetric assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Tumor suppressor p53-binding protein 1


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/an/a 350n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair