BDBM50463486 CHEMBL4242191

SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

InChI Key InChIKey=PUGCYUNGJKYXAB-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50463486   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50463486(CHEMBL4242191)
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50463486(CHEMBL4242191)
Affinity DataKi:  10nMAssay 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 Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed