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BDBM60473 US9079866, 145::US9745328, Compound 145::US9884878, Compound 145

SMILES: C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1

InChI Key: InChIKey=UJGKCRSGLVSQSQ-CQSZACIVSA-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 = 60473   
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))
BDBM60473
PNG
(US9079866, 145 | US9745328, Compound 145 | US98848...)
Show SMILES C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C21H22FN5O2S/c1-14-11-24-8-9-27(14)30(28,29)20-5-3-2-4-16(20)15-6-7-17(18(22)10-15)19-12-26-21(23)13-25-19/h2-7,10,12-14,24H,8-9,11H2,1H3,(H2,23,26)/t14-/m1/s1
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US Patent
17n/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))
BDBM60473
PNG
(US9079866, 145 | US9745328, Compound 145 | US98848...)
Show SMILES C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C21H22FN5O2S/c1-14-11-24-8-9-27(14)30(28,29)20-5-3-2-4-16(20)15-6-7-17(18(22)10-15)19-12-26-21(23)13-25-19/h2-7,10,12-14,24H,8-9,11H2,1H3,(H2,23,26)/t14-/m1/s1
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US Patent
17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...


US Patent US9745328 (2017)


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


(Homo sapiens (Human))
BDBM60473
PNG
(US9079866, 145 | US9745328, Compound 145 | US98848...)
Show SMILES C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C21H22FN5O2S/c1-14-11-24-8-9-27(14)30(28,29)20-5-3-2-4-16(20)15-6-7-17(18(22)10-15)19-12-26-21(23)13-25-19/h2-7,10,12-14,24H,8-9,11H2,1H3,(H2,23,26)/t14-/m1/s1
PDB
MMDB

Reactome pathway
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antibodypedia
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PC sid
UniChem

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US Patent
17n/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 US9884878 (2018)


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