BDBM24071 3,5-diaryl-4,5-dihydropyrazole, 8e::3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide

SMILES: CCNC(=O)N1N=C(CC1(CCCO)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=GUEBRLZPFWEFBT-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 = 24071   

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))	BDBM24071 (3,5-diaryl-4,5-dihydropyrazole, 8e | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCCO)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	745	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 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
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