BDBM372346 Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylic acid via chiral (R)-benzyl 1-(fluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylate::US10245275, Example 2b

SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1

InChI Key InChIKey=YFSNREBZTKMFEB-DHGHKPCRSA-N

Data  8 IC50  5 EC50

  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 13 hits for monomerid = 372346   

TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Viiv Healthcare UK (No. 4)

US Patent
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataEC50:  1.48nMAssay Description:MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGag-Pol polyprotein [A364V](Human immunodeficiency virus type 1 group M subtyp...)
Viiv Healthcare UK (No. 4)

US Patent
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataEC50:  201nMAssay Description:MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of UGT1A1(unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens)
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataEC50: >5.00E+3nMAssay Description:Induction of CYP1A2 in human hepatocyteMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataEC50: >5.00E+3nMAssay Description:Induction of CYP2B6 in human hepatocyteMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataEC50: >5.00E+3nMAssay Description:Induction of CYP3A4 in human hepatocyteMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol Myers Squibb Research And Early Development

Curated by ChEMBL
LigandPNGBDBM372346(Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...)
Affinity DataIC50: >1.33E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed