BDBM24101 1,4-diaryl-4,5-dihydropyrazole, 21::1-{4-[3-(4-acetylpiperazin-1-yl)propyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ethan-1-one::Racemate

SMILES: CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(ccc2F)C(F)(F)F)c2ccccc2)CC1

InChI Key: InChIKey=OVPSSIXIRKPDEH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24101   

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))	BDBM24101 (1,4-diaryl-4,5-dihydropyrazole, 21 | 1-{4-[3-(4-ac...) Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(ccc2F)C(F)(F)F)c2ccccc2)CC1 |c:13| Show InChI InChI=1S/C27H30F4N4O2/c1-19(36)25-26(21-7-4-3-5-8-21,11-6-12-33-13-15-34(16-14-33)20(2)37)18-35(32-25)24-17-22(27(29,30)31)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	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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