BDBM50545777 CHEMBL4634054

SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1

InChI Key InChIKey=UBZROAHRNZQUNE-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 50545777   

TargetC-C chemokine receptor type 4(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 24nMAssay Description:Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetC-C chemokine receptor type 4(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 74nMAssay Description:Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam hydrochloride as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol hydrochloride salt as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac sodium salt as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Rapt Therapeutics

Curated by ChEMBL
LigandPNGBDBM50545777(CHEMBL4634054)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed