BDBM24095 1,4-diaryl-4,5-dihydropyrazole, 15::1-[1-(2,5-difluorophenyl)-4-phenyl-4-[3-(pyrrolidin-1-yl)propyl]-4,5-dihydro-1H-pyrazol-3-yl]ethan-1-one::Racemate

SMILES: CC(=O)C1=NN(CC1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=BXOAWISKNWMSMA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24095   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM24095 (1,4-diaryl-4,5-dihydropyrazole, 15 | 1-[1-(2,5-dif...) Show SMILES CC(=O)C1=NN(CC1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F |t:3| Show InChI InChI=1S/C24H27F2N3O/c1-18(30)23-24(19-8-3-2-4-9-19,12-7-15-28-13-5-6-14-28)17-29(27-23)22-16-20(25)10-11-21(22)26/h2-4,8-11,16H,5-7,12-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.0	23
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
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