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BDBM145804 US8952177, 160::US9089569, 160::US9695149, 160

SMILES: Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CC(F)(F)C4)c3c2)nc1

InChI Key: InChIKey=GCDQOTBXVBCCKZ-TWKOHBGMNA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 145804   
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-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145804
PNG
(US8952177, 160 | US9089569, 160 | US9695149, 160)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CC(F)(F)C4)c3c2)nc1
Show InChI InChI=1/C31H32F2N4O3/c1-20-6-9-22(34-15-20)17-40-24-12-13-27-28(14-24)37(29(35-27)25-4-2-3-5-26(25)30(38)39)16-21-7-10-23(11-8-21)36-18-31(32,33)19-36/h6-15,25-26H,2-5,16-19H2,1H3,(H,38,39)/t25-,26+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.80n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...


US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145804
PNG
(US8952177, 160 | US9089569, 160 | US9695149, 160)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CC(F)(F)C4)c3c2)nc1
Show InChI InChI=1/C31H32F2N4O3/c1-20-6-9-22(34-15-20)17-40-24-12-13-27-28(14-24)37(29(35-27)25-4-2-3-5-26(25)30(38)39)16-21-7-10-23(11-8-21)36-18-31(32,33)19-36/h6-15,25-26H,2-5,16-19H2,1H3,(H,38,39)/t25-,26+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.80n/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 US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145804
PNG
(US8952177, 160 | US9089569, 160 | US9695149, 160)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CC(F)(F)C4)c3c2)nc1
Show InChI InChI=1/C31H32F2N4O3/c1-20-6-9-22(34-15-20)17-40-24-12-13-27-28(14-24)37(29(35-27)25-4-2-3-5-26(25)30(38)39)16-21-7-10-23(11-8-21)36-18-31(32,33)19-36/h6-15,25-26H,2-5,16-19H2,1H3,(H,38,39)/t25-,26+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.80n/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 US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair