BDBM50097165 CHEMBL3581146

SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1

InChI Key InChIKey=ZTXPZKBYVPEULR-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50097165   

TargetRho-associated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097165(CHEMBL3581146)
Affinity DataKi:  18nMAssay 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 ArticlePubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097165(CHEMBL3581146)
Affinity DataKi:  780nMAssay 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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097165(CHEMBL3581146)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Charles River Laboratories

Curated by ChEMBL
LigandPNGBDBM50097165(CHEMBL3581146)
Affinity DataIC50:  15nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human ROCK2 (5 to 554 residues) expressed in baculovirus infected Sf9 cells using S6K as substrate in...More data for this Ligand-Target Pair
In DepthDetails PubMed