BDBM50449495 CHEMBL4160587

SMILES c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3

InChI Key InChIKey=ZYTOTYXABPGGHD-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50449495   

TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PAK 4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 25nMAssay Description:Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50449495(CHEMBL4160587)
Affinity DataIC50: 3.03E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed