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BDBM125954 US8772304, 16

SMILES: COc1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1

InChI Key: InChIKey=KOWHFQJWPHOPTR-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 125954   
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))
BDBM125954
PNG
(US8772304, 16)
Show SMILES COc1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N6O/c1-21(2,3)27-16-8-7-13(14-11-24-20(22)25-12-14)10-15(16)26-19(27)18-17(28-4)6-5-9-23-18/h5-12H,1-4H3,(H2,22,24,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 960n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair