BDBM50463479 CHEMBL4249925

SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

InChI Key InChIKey=HIUHVDROHDSKTC-UHFFFAOYSA-N

Data  139 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50463479   

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

Curated by ChEMBL
LigandPNGBDBM50463479(CHEMBL4249925)
Affinity DataKi:  2nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50463479(CHEMBL4249925)
Affinity DataKi:  6nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB