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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM323046'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM323046
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1nn2CCNC(=O)c2c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C24H26N6O3/c1-14-20(21-24(33)25-12-13-30(21)29-14)27-23(32)18-5-3-2-4-17(18)22(31)16-8-6-15(7-9-16)19-10-11-26-28-19/h6-11,17-18H,2-5,12-13H2,1H3,(H,25,33)(H,26,28)(H,27,32)/t17-,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair