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
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cdc2-related kinase (Leishmania major) | BDBM47658 (1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 (1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...) | 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/a | n/a | n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/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 |