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SMILES: FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1

InChI Key: InChIKey=PQPZHCAYDQWFIT-UHFFFAOYSA-N

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 4 hits for monomerid = 421626   
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
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421626
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O3S2/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 51n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421626
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O3S2/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM421626
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O3S2/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 51n/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...


US Patent US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421626
PNG
(3-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-flu...)
Show SMILES FCCn1c2cc(F)c(cc2n(-c2nnc(s2)C(F)F)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C16H14F5N5O3S2/c17-3-4-25-9-5-8(19)11(31(28,29)24-16(7-18)1-2-16)6-10(9)26(15(25)27)14-23-22-13(30-14)12(20)21/h5-6,12,24H,1-4,7H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair