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-UHFFFAOYSA-N

Data: 8 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 372346   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein (HIV-1)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.48	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [A364V] (HIV-1)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	201	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
UDP-glucuronosyltransferase 1A1 (Human)	BDBM372346 (US10245275, Example 2b | Method A: (R)-4-((1R,3aS,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair