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BDBM145651 US8952177, 4::US9089569, 4::US9695149, 4

SMILES: Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)c(F)c4)c3c2)nc1

InChI Key: InChIKey=UUNMYGIQPWDJJC-FOIFJWKZSA-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 = 145651   
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))
BDBM145651
PNG
(US8952177, 4 | US9089569, 4 | US9695149, 4)
Show SMILES Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)c(F)c4)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-8-19(31-14-17)16-36-20-9-11-25-26(13-20)33(15-18-7-10-23(29)24(30)12-18)27(32-25)21-4-2-3-5-22(21)28(34)35/h6-14,21-22H,2-5,15-16H2,1H3,(H,34,35)/t21?,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.5n/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))
BDBM145651
PNG
(US8952177, 4 | US9089569, 4 | US9695149, 4)
Show SMILES Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)c(F)c4)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-8-19(31-14-17)16-36-20-9-11-25-26(13-20)33(15-18-7-10-23(29)24(30)12-18)27(32-25)21-4-2-3-5-22(21)28(34)35/h6-14,21-22H,2-5,15-16H2,1H3,(H,34,35)/t21?,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.5n/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))
BDBM145651
PNG
(US8952177, 4 | US9089569, 4 | US9695149, 4)
Show SMILES Cc1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)c(F)c4)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-8-19(31-14-17)16-36-20-9-11-25-26(13-20)33(15-18-7-10-23(29)24(30)12-18)27(32-25)21-4-2-3-5-22(21)28(34)35/h6-14,21-22H,2-5,15-16H2,1H3,(H,34,35)/t21?,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.5n/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