BDBM16944 (3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one::Z/E>98:1::oxindole pyridine, 11f
SMILES: N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12
InChI Key: InChIKey=DQMKXCKXZQEVJU-VHLXNKDGSA-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)) | BDBM16944 ((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of Chk1 | J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein kinase B (Akt 1) (Homo sapiens (Human)) | BDBM16944 ((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat... | Bioorg Med Chem Lett 16: 3424-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.005 BindingDB Entry DOI: 10.7270/Q2K072JJ | |||||||||||
More data for this Ligand-Target Pair |