BDBM50313045 (Z)-4-(2-(3-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzoic acid::CHEMBL1082188
SMILES: COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C(O)=O
InChI Key: InChIKey=IFRGDVYCLVLQPU-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50313045 ((Z)-4-(2-(3-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4(5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay | Bioorg Med Chem Lett 20: 1661-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.072 BindingDB Entry DOI: 10.7270/Q2TX3G9B | |||||||||||
More data for this Ligand-Target Pair |