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BDBM167016 US9073876, 102::US9732093, Compound 102

SMILES: Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cccc(n2)C(F)(F)F)c1F

InChI Key: InChIKey=SIFFATOUBBTWBX-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 = 167016   
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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167016
PNG
(US9073876, 102 | US9732093, Compound 102)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cccc(n2)C(F)(F)F)c1F
Show InChI InChI=1S/C20H16F4N4O/c21-18-13(14-9-27-16(25)10-26-14)8-7-12(11-3-1-4-11)19(18)29-17-6-2-5-15(28-17)20(22,23)24/h2,5-11H,1,3-4H2,(H2,25,27)
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US Patent
1.80n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167016
PNG
(US9073876, 102 | US9732093, Compound 102)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cccc(n2)C(F)(F)F)c1F
Show InChI InChI=1S/C20H16F4N4O/c21-18-13(14-9-27-16(25)10-26-14)8-7-12(11-3-1-4-11)19(18)29-17-6-2-5-15(28-17)20(22,23)24/h2,5-11H,1,3-4H2,(H2,25,27)
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MMDB

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antibodypedia
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2n/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 US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167016
PNG
(US9073876, 102 | US9732093, Compound 102)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cccc(n2)C(F)(F)F)c1F
Show InChI InChI=1S/C20H16F4N4O/c21-18-13(14-9-27-16(25)10-26-14)8-7-12(11-3-1-4-11)19(18)29-17-6-2-5-15(28-17)20(22,23)24/h2,5-11H,1,3-4H2,(H2,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair