BDBM682656 (S)-N-(3,5-Difluoro-4-((1S,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-2,3 ,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)-1-(3-fluoropropyl)pyrrolidin-3-amine::WO2021228210, Compound 4

SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F

InChI Key InChIKey=HHOPFZCXWJZNIA-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 682656   

TargetCytochrome P450 1A2(Human)
Xizang Haisco Pharmaceutical

US Patent
LigandPNGBDBM682656(WO2021228210, Compound 4 | (S)-N-(3,5-Difluoro-4-(...)
Affinity DataIC50: 1.56E+4nMAssay Description:The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
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TargetCytochrome P450 2C9(Human)
Xizang Haisco Pharmaceutical

US Patent
LigandPNGBDBM682656(WO2021228210, Compound 4 | (S)-N-(3,5-Difluoro-4-(...)
Affinity DataIC50: 1.56E+4nMAssay Description:The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Xizang Haisco Pharmaceutical

US Patent
LigandPNGBDBM682656(WO2021228210, Compound 4 | (S)-N-(3,5-Difluoro-4-(...)
Affinity DataIC50: 1.91E+4nMAssay Description:The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Xizang Haisco Pharmaceutical

US Patent
LigandPNGBDBM682656(WO2021228210, Compound 4 | (S)-N-(3,5-Difluoro-4-(...)
Affinity DataIC50: 1.38E+4nMAssay Description:The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Xizang Haisco Pharmaceutical

US Patent
LigandPNGBDBM682656(WO2021228210, Compound 4 | (S)-N-(3,5-Difluoro-4-(...)
Affinity DataIC50: 1.28E+4nMAssay Description:The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent