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BDBM168691 US9079866, 68::US9745328, Compound 68::US9884878, Compound 68

SMILES: Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCC(CO)CC1

InChI Key: InChIKey=HQHMELWDGPBWLW-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 168691   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168691
PNG
(US9079866, 68 | US9745328, Compound 68 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCC(CO)CC1
Show InChI InChI=1S/C22H23FN4O3S/c23-19-11-16(5-6-18(19)20-12-26-22(24)13-25-20)17-3-1-2-4-21(17)31(29,30)27-9-7-15(14-28)8-10-27/h1-6,11-13,15,28H,7-10,14H2,(H2,24,26)
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9079866 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3R3Q
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM168691
PNG
(US9079866, 68 | US9745328, Compound 68 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCC(CO)CC1
Show InChI InChI=1S/C22H23FN4O3S/c23-19-11-16(5-6-18(19)20-12-26-22(24)13-25-20)17-3-1-2-4-21(17)31(29,30)27-9-7-15(14-28)8-10-27/h1-6,11-13,15,28H,7-10,14H2,(H2,24,26)
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antibodypedia
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US Patent
1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168691
PNG
(US9079866, 68 | US9745328, Compound 68 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCC(CO)CC1
Show InChI InChI=1S/C22H23FN4O3S/c23-19-11-16(5-6-18(19)20-12-26-22(24)13-25-20)17-3-1-2-4-21(17)31(29,30)27-9-7-15(14-28)8-10-27/h1-6,11-13,15,28H,7-10,14H2,(H2,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair