BDBM50323918 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)urea::CHEMBL1213973
SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
InChI Key: InChIKey=BBZXKDAPACZAMH-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Mus musculus) | BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay | Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay | Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50323918 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 414 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay | Bioorg Med Chem 18: 5738-48 (2010) Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C | |||||||||||
More data for this Ligand-Target Pair |