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

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16944   

TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL

LigandBDBM16944((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)Copy SMILESCopy InChI

Affinity DataKi:  126nMAssay Description:Inhibition of Chk1More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetRAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D](Homo sapiens (Human))
Abbott Laboratories

LigandBDBM16944((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)Copy SMILESCopy InChI

Affinity DataIC50:  1.5nMAssay Description:The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI