BDBM50097164 CHEMBL3581145

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

InChI Key InChIKey=VFDUENSNKFWMNI-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50097164   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097164(CHEMBL3581145)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097164(CHEMBL3581145)
Affinity DataKi:  120nMAssay 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 Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097164(CHEMBL3581145)
Affinity DataKi: >3.30E+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 Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMed