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BDBM371507 1-Butyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-quinazoline-6-sulfonamide::US10239843, Example 617

SMILES: CCCCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1

InChI Key: InChIKey=DGYGOMJTENEMDQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 371507   
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
ADP-ribose glycohydrolase ARH3


(Homo sapiens (Human))
BDBM371507
PNG
(1-Butyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-meth...)
Show SMILES CCCCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C21H26FN5O4S/c1-3-4-9-26-18-6-5-16(32(30,31)24-21(14-22)7-8-21)10-17(18)19(28)27(20(26)29)13-15-11-23-25(2)12-15/h5-6,10-12,24H,3-4,7-9,13-14H2,1-2H3
PDB

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



Istituto Superiore di Sanita



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...


J Med Chem 51: 1058-62 (2008)


BindingDB Entry DOI: 10.7270/Q21R6SSM
More data for this
Ligand-Target Pair
poly(ADP-ribose) glycohydrolase (PARG)


(Homo sapiens (Human))
BDBM371507
PNG
(1-Butyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-meth...)
Show SMILES CCCCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1
Show InChI InChI=1S/C21H26FN5O4S/c1-3-4-9-26-18-6-5-16(32(30,31)24-21(14-22)7-8-21)10-17(18)19(28)27(20(26)29)13-15-11-23-25(2)12-15/h5-6,10-12,24H,3-4,7-9,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Istituto Superiore di Sanita



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 ...


J Med Chem 51: 1058-62 (2008)


BindingDB Entry DOI: 10.7270/Q21R6SSM
More data for this
Ligand-Target Pair