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BDBM50441357 CHEMBL2431805

SMILES: FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1

InChI Key: InChIKey=VKSDILZMXGBZJR-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50441357   
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 (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sienabiotech S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tankyrases 1 (unknown origin) by autoPARsylationassay


Eur J Med Chem 95: 526-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.055
BindingDB Entry DOI: 10.7270/Q28W3G1F
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sienabiotech S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tankyrases 2 (unknown origin) by autoPARsylationassay


Eur J Med Chem 95: 526-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.055
BindingDB Entry DOI: 10.7270/Q28W3G1F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.62E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD1 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD1 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 479n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 479n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair