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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP11' and Ligand = 'BDBM50503867'   
Target/Host
(Institution)
LigandTarget/Host
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
Protein mono-ADP-ribosyltransferase PARP11


(Homo sapiens)
BDBM50503867
PNG
(CHEMBL4447011)
Show SMILES Cc1c2CCNC(=O)c2ccc1-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O/c1-9-12(2-3-14-13(9)4-5-21-15(14)22)10-6-11(8-20-7-10)16(17,18)19/h2-3,6-8H,4-5H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.12E+4n/an/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...


ACS Med Chem Lett 10: 74-79 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00429
BindingDB Entry DOI: 10.7270/Q2HX1GXV
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP11


(Homo sapiens)
BDBM50503867
PNG
(CHEMBL4447011)
Show SMILES Cc1c2CCNC(=O)c2ccc1-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O/c1-9-12(2-3-14-13(9)4-5-21-15(14)22)10-6-11(8-20-7-10)16(17,18)19/h2-3,6-8H,4-5H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.21E+4n/an/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...


ACS Med Chem Lett 10: 74-79 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00429
BindingDB Entry DOI: 10.7270/Q2HX1GXV
More data for this
Ligand-Target Pair