BDBM24076 3,5-diaryl-4,5-dihydropyrazole, 9a::5-[4-(benzylamino)butyl]-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide

SMILES: CCNC(=O)N1N=C(CC1(CCCCNCc1ccccc1)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=WOAHQSQWLSCAPA-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 = 24076   

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))	BDBM24076 (3,5-diaryl-4,5-dihydropyrazole, 9a | 5-[4-(benzyla...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNCc1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C29H32F2N4O/c1-2-33-28(36)35-29(23-13-7-4-8-14-23,17-9-10-18-32-21-22-11-5-3-6-12-22)20-27(34-35)25-19-24(30)15-16-26(25)31/h3-8,11-16,19,32H,2,9-10,17-18,20-21H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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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