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BDBM166932 US9073876, 18::US9732093, Compound 18

SMILES: Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCc2ccccc2C#N)c1F

InChI Key: InChIKey=NAITVAYDOBKFNN-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 = 166932   
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))
BDBM166932
PNG
(US9073876, 18 | US9732093, Compound 18)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCc2ccccc2C#N)c1F
Show InChI InChI=1S/C22H19FN4O/c23-21-18(19-11-27-20(25)12-26-19)9-8-17(14-6-3-7-14)22(21)28-13-16-5-2-1-4-15(16)10-24/h1-2,4-5,8-9,11-12,14H,3,6-7,13H2,(H2,25,27)
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Similars

Article
US Patent
59n/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 US9732093 (2017)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM166932
PNG
(US9073876, 18 | US9732093, Compound 18)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCc2ccccc2C#N)c1F
Show InChI InChI=1S/C22H19FN4O/c23-21-18(19-11-27-20(25)12-26-19)9-8-17(14-6-3-7-14)22(21)28-13-16-5-2-1-4-15(16)10-24/h1-2,4-5,8-9,11-12,14H,3,6-7,13H2,(H2,25,27)
PDB
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US Patent
120n/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))
BDBM166932
PNG
(US9073876, 18 | US9732093, Compound 18)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCc2ccccc2C#N)c1F
Show InChI InChI=1S/C22H19FN4O/c23-21-18(19-11-27-20(25)12-26-19)9-8-17(14-6-3-7-14)22(21)28-13-16-5-2-1-4-15(16)10-24/h1-2,4-5,8-9,11-12,14H,3,6-7,13H2,(H2,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
120n/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 US9732093 (2017)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair