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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 = 'BDBM323045'   
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))
BDBM323045
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12
Show InChI InChI=1S/C25H28N6O3/c1-14-13-20(29-28-14)16-7-9-17(10-8-16)23(32)18-5-3-4-6-19(18)24(33)27-21-15(2)30-31-12-11-26-25(34)22(21)31/h7-10,13,18-19H,3-6,11-12H2,1-2H3,(H,26,34)(H,27,33)(H,28,29)/t18-,19-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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