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PDB code 3P8H

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)

  (323/323 = 100%)
(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/a 4.20E+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)

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

  (323/323 = 100%)
(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 by chemiluminescent assay


J Med Chem 54: 2504-11 (2011)

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

  (323/323 = 100%)
(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of FAM-AHA-ARTKQTARK(Me)STGGKA-CO2H from human L3MBTL1 assessed as apparent disociation constant after 20 mins by FP-displacement Assay


J Med Chem 54: 2504-11 (2011)

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

  (323/323 = 100%)
(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay


J Med Chem 54: 2504-11 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output