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BDBM104542 US8575201, 33

SMILES: Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC(CO)CO)nc1

InChI Key: InChIKey=WGJHGMGHXVGFFH-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 104542   
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))
BDBM104542
PNG
(US8575201, 33)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC(CO)CO)nc1
Show InChI InChI=1S/C23H24N8O3/c24-22-27-9-15(10-28-22)18-4-3-16(11-25-18)23(6-1-7-23)21-30-20(34-31-21)14-2-5-19(26-8-14)29-17(12-32)13-33/h2-5,8-11,17,32-33H,1,6-7,12-13H2,(H,26,29)(H2,24,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair