BDBM6763 28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-3,5-dione::SB-218078

SMILES c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O

InChI Key InChIKey=OTPNDVKVEAIXTI-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 6763   

LigandPNGBDBM6763(28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...)
Affinity DataIC50: 540nMpH: 7.0 T: 2°CAssay Description:In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2005
Entry Details Article
PubMed
LigandPNGBDBM6763(28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...)
Affinity DataIC50: 680nMT: 2°CAssay Description:In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2005
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM6763(28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...)
Affinity DataIC50: 250nMAssay Description:Inhibition of p34cdc2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM6763(28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...)
Affinity DataIC50: 15nMAssay Description:Inhibition of Chk1 mediated phosphorylation of cdc25CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)