BDBM50043409 CHEMBL3355474

SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O

InChI Key InChIKey=SSPHMGCXSJLCMP-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50043409   

TargetSerine/threonine-protein kinase Chk1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 80nMAssay Description:Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of human ATR using ATP substrate measured after 3 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50043409(CHEMBL3355474)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2016
Entry Details Article
PubMed