BDBM50097166 CHEMBL3580669

SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1

InChI Key InChIKey=IVWXFGRLNHCKNV-UHFFFAOYSA-N

Data  2 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50097166   

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

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataKi:  10nMAssay 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
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataKi:  3.00E+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 ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of CYP2C9 (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
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50:  11nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50097166(CHEMBL3580669)
Affinity DataIC50:  7.30E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed