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BDBM24097 1,4-diaryl-4,5-dihydropyrazole, 17::1-[1-(2,5-difluorophenyl)-4-[3-(dimethylamino)propyl]-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]ethan-1-one::Racemate

SMILES: CN(C)CCCC1(CN(N=C1C(C)=O)c1cc(F)ccc1F)c1ccccc1

InChI Key: InChIKey=HBHHQROCMYJFKL-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 24097   
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))
BDBM24097
PNG
(1,4-diaryl-4,5-dihydropyrazole, 17 | 1-[1-(2,5-dif...)
Show SMILES CN(C)CCCC1(CN(N=C1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H25F2N3O/c1-16(28)21-22(12-7-13-26(2)3,17-8-5-4-6-9-17)15-27(25-21)20-14-18(23)10-11-19(20)24/h4-6,8-11,14H,7,12-13,15H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10n/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