BDBM50223484 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one::CHEMBL249441
SMILES: NCCCc1cc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)-c1cccc(O)c1
InChI Key: InChIKey=BUSJQQYKXHYDNN-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 |
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Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50223484 (6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazo...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence assay | Bioorg Med Chem Lett 17: 6280-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.007 BindingDB Entry DOI: 10.7270/Q2W958ZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |