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BDBM323031 (1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-[4-(5-methyl-1H-pyrazol- 3-yl)benzoyl]cyclohexanecarboxamide::US10183947, Example 15

SMILES: Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn[nH]c1C(F)F

InChI Key: InChIKey=DLOIQKSZLNORQH-HZPDHXFCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323031   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323031
PNG
((1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn[nH]c1C(F)F
Show InChI InChI=1S/C22H23F2N5O2/c1-12-10-17(28-27-12)13-6-8-14(9-7-13)20(30)15-4-2-3-5-16(15)22(31)26-18-11-25-29-19(18)21(23)24/h6-11,15-16,21H,2-5H2,1H3,(H,25,29)(H,26,31)(H,27,28)/t15-,16-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.60n/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