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SMILES: CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

InChI Key:

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 9 hits for monomerid = 50238425   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4)


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 11


(Homo sapiens)
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inh...


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
PARP 1, 2 and 3


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16


(Homo sapiens (Human))
BDBM50238425
PNG
(CHEMBL4064332)
Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+3n/an/an/an/an/an/a



Cellzome GmbH, A GlaxoSmithKline Company , Meyerhofstraße 1, 69117 Heidelberg, Germany.

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair