BDBM50464136 CHEMBL4249798

SMILES Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C

InChI Key InChIKey=KESMRFWRGXZDEF-UHFFFAOYSA-N

Data  8 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 = 50464136   

TargetC-C chemokine receptor type 5(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 3nMAssay Description:Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50464136(CHEMBL4249798)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV after 60 secs by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed