BDBM50097159 CHEMBL3581140

SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(N)c2)c1

InChI Key InChIKey=HIGGJLMBFDDVKA-UHFFFAOYSA-N

Data  3 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50097159   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097159(CHEMBL3581140)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097159(CHEMBL3581140)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097159(CHEMBL3581140)
Affinity DataKi:  165nMAssay Description:Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097159(CHEMBL3581140)
Affinity DataKi:  170nMAssay Description:Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097159(CHEMBL3581140)
Affinity DataKi:  1.85E+3nMAssay Description:Inhibition of PKAalpha (1 to 351 amino acids) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase/lactate dehydrogenas...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed