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BDBM47658 1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl)urea::1-(4-methylphenyl)-3-[2-(3-pyridinyl)-4-pyrimidinyl]urea::1-(p-tolyl)-3-[2-(3-pyridyl)pyrimidin-4-yl]urea::MLS000706883::N-(4-methylphenyl)-N'-[2-(3-pyridinyl)-4-pyrimidinyl]urea::SMR000335712::cid_1477566

SMILES: Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1

InChI Key: InChIKey=FCFZSPVQFIPQML-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 47658   
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
Cdc2-related kinase


(Leishmania major)
BDBM47658
PNG
(1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5O/c1-12-4-6-14(7-5-12)20-17(23)22-15-8-10-19-16(21-15)13-3-2-9-18-11-13/h2-11H,1H3,(H2,19,20,21,22,23)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Bioorg Med Chem Lett 22: 6788-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.044
BindingDB Entry DOI: 10.7270/Q26H4JJZ
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM47658
PNG
(1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5O/c1-12-4-6-14(7-5-12)20-17(23)22-15-8-10-19-16(21-15)13-3-2-9-18-11-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.07E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair