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BDBM24053 3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide::CHEMBL196985::dihydropyrazole, 7

SMILES: CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=OJTLBPPHFFUINF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 24053   
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))
BDBM24053
PNG
(3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...)
Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
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MMDB

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PC sid
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Article
PubMed
n/an/a 84n/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 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM24053
PNG
(3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...)
Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
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Article
PubMed
n/an/a 84n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM24053
PNG
(3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...)
Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair