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BDBM104571 US8575201, 62

SMILES: Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=TXLKVXAUXZMBMN-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 = 104571   
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))
BDBM104571
PNG
(US8575201, 62)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H26N8O/c26-24-29-14-18(15-30-24)21-7-4-19(16-28-21)25(8-1-9-25)23-31-22(34-32-23)17-2-5-20(6-3-17)33-12-10-27-11-13-33/h2-7,14-16,27H,1,8-13H2,(H2,26,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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