BDBM50303594 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6-nitroquinolin-4-ylamino)phenyl)urea::1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea::CHEMBL568874
SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
InChI Key: InChIKey=CWMPJFRIKZETON-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50303594 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid... | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50303594 (1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |