BDBM372349 Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxido-1,4-thiazepan-4-yl)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::US10245275, Example 5

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)NCCN1CCCS(=O)(=O)CC1

InChI Key: InChIKey=CJEHOIGMSJIZEL-LRLIWGDKSA-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 = 372349   

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...)	BDBM372349 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show 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)NCCN1CCCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C44H69FN2O4S/c1-30(2)32-13-20-44(46-23-25-47-24-8-27-52(50,51)28-26-47)22-21-41(6)34(37(32)44)9-10-36-40(5)16-14-33(39(3,4)35(40)15-17-42(36,41)7)31-11-18-43(29-45,19-12-31)38(48)49/h11,14,32,34-37,46H,1,8-10,12-13,15-29H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	29.9	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...)	BDBM372349 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show 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)NCCN1CCCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C44H69FN2O4S/c1-30(2)32-13-20-44(46-23-25-47-24-8-27-52(50,51)28-26-47)22-21-41(6)34(37(32)44)9-10-36-40(5)16-14-33(39(3,4)35(40)15-17-42(36,41)7)31-11-18-43(29-45,19-12-31)38(48)49/h11,14,32,34-37,46H,1,8-10,12-13,15-29H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/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	1.60	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