BDBM372354 Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(((2-(1,1-dioxidothiomorpholino)-2-methylpropyl)amino)methyl)-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::US10245275, Example 10

SMILES: CC(=C)[C@@H]1CC[C@]2(CNCC(C)(C)N3CCS(=O)(=O)CC3)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

InChI Key: InChIKey=UIRMYUDBBJPPJL-CJSFDSPRSA-N

Data: 2 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 2 hits for monomerid = 372354   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [A364V] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372354 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@]2(CNCC(C)(C)N3CCS(=O)(=O)CC3)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 |r,t:33,35| Show InChI InChI=1S/C46H73FN2O4S/c1-31(2)33-14-21-46(30-48-29-40(3,4)49-24-26-54(52,53)27-25-49)23-22-43(8)35(38(33)46)10-11-37-42(7)17-15-34(41(5,6)36(42)16-18-44(37,43)9)32-12-19-45(28-47,20-13-32)39(50)51/h12,15,33,35-38,48H,1,10-11,13-14,16-30H2,2-9H3,(H,50,51)/t33-,35+,36-,37+,38+,42-,43+,44+,45-,46+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<50	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay 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...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372354 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@]2(CNCC(C)(C)N3CCS(=O)(=O)CC3)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 |r,t:33,35| Show InChI InChI=1S/C46H73FN2O4S/c1-31(2)33-14-21-46(30-48-29-40(3,4)49-24-26-54(52,53)27-25-49)23-22-43(8)35(38(33)46)10-11-37-42(7)17-15-34(41(5,6)36(42)16-18-44(37,43)9)32-12-19-45(28-47,20-13-32)39(50)51/h12,15,33,35-38,48H,1,10-11,13-14,16-30H2,2-9H3,(H,50,51)/t33-,35+,36-,37+,38+,42-,43+,44+,45-,46+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<50	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay 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...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair