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BDBM165174 US9067917, 209::US9067917, 210::US9682971, 210

SMILES: OC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1

InChI Key: InChIKey=PKOYWFOHHRGCON-FCHUYYIVSA-N

Data: 4 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 4 hits for monomerid = 165174   
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))
BDBM165174
PNG
(US9067917, 209 | US9067917, 210 | US9682971, 210)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H26BrN3O3S/c30-19-11-9-18(10-12-19)16-33-25-14-13-20(36-17-27-31-23-7-3-4-8-26(23)37-27)15-24(25)32-28(33)21-5-1-2-6-22(21)29(34)35/h3-4,7-15,21-22H,1-2,5-6,16-17H2,(H,34,35)/t21-,22+/m0/s1
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US Patent
3.5n/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 US9067917 (2015)


BindingDB Entry DOI: 10.7270/Q24748M5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165174
PNG
(US9067917, 209 | US9067917, 210 | US9682971, 210)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H26BrN3O3S/c30-19-11-9-18(10-12-19)16-33-25-14-13-20(36-17-27-31-23-7-3-4-8-26(23)37-27)15-24(25)32-28(33)21-5-1-2-6-22(21)29(34)35/h3-4,7-15,21-22H,1-2,5-6,16-17H2,(H,34,35)/t21-,22+/m0/s1
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US Patent
3.5n/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 US9682971 (2017)


BindingDB Entry DOI: 10.7270/Q2P26W84
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165174
PNG
(US9067917, 209 | US9067917, 210 | US9682971, 210)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H26BrN3O3S/c30-19-11-9-18(10-12-19)16-33-25-14-13-20(36-17-27-31-23-7-3-4-8-26(23)37-27)15-24(25)32-28(33)21-5-1-2-6-22(21)29(34)35/h3-4,7-15,21-22H,1-2,5-6,16-17H2,(H,34,35)/t21-,22+/m0/s1
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US Patent
600n/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 US9682971 (2017)


BindingDB Entry DOI: 10.7270/Q2P26W84
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165174
PNG
(US9067917, 209 | US9067917, 210 | US9682971, 210)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H26BrN3O3S/c30-19-11-9-18(10-12-19)16-33-25-14-13-20(36-17-27-31-23-7-3-4-8-26(23)37-27)15-24(25)32-28(33)21-5-1-2-6-22(21)29(34)35/h3-4,7-15,21-22H,1-2,5-6,16-17H2,(H,34,35)/t21-,22+/m0/s1
PDB
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PC sid
UniChem

Similars

US Patent
600n/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 US9067917 (2015)


BindingDB Entry DOI: 10.7270/Q24748M5
More data for this
Ligand-Target Pair