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BDBM24096 1,4-diaryl-4,5-dihydropyrazole, 16::1-[1-(2,5-difluorophenyl)-4-{3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl}-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]ethan-1-one::Racemate

SMILES: CC(=O)C1=NN(CC1(CCCN1C[C@@H]2C[C@H]1CO2)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=KHPQKCOBXXAGOC-ZLTNKZLJSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24096   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24096
PNG
(1,4-diaryl-4,5-dihydropyrazole, 16 | 1-[1-(2,5-dif...)
Show SMILES CC(=O)C1=NN(CC1(CCCN1C[C@@H]2C[C@H]1CO2)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C25H27F2N3O2/c1-17(31)24-25(18-6-3-2-4-7-18,10-5-11-29-14-21-13-20(29)15-32-21)16-30(28-24)23-12-19(26)8-9-22(23)27/h2-4,6-9,12,20-21H,5,10-11,13-16H2,1H3/t20-,21-,25?/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 1.20n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair