BindingDB logo
myBDB logout

BDBM50440607 CHEMBL2426375

SMILES: CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1

InChI Key: InChIKey=OBWFOTDCVMCZMZ-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 = 50440607   
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)
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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)
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.80E+4n/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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 470n/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