BDBM372418 US10245275, Compound 2

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

InChI Key: InChIKey=ZZQLGBQNMULOLG-CCEKWEOXSA-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 = 372418   

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
HIV-1 gap A364V (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372418 (US10245275, Compound 2) 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=CCC(CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-30(2)32-12-19-43(45-22-23-46-24-26-51(48,49)27-25-46)21-20-40(6)34(37(32)43)8-9-36-39(5)15-13-33(38(3,4)35(39)14-16-41(36,40)7)31-10-17-42(28-44,18-11-31)50-29-47/h10,13,29,32,34-37,45H,1,8-9,11-12,14-28H2,2-7H3/t32-,34+,35-,36+,37+,39-,40+,41+,42?,43-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	210	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 (Capsid Protein) (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372418 (US10245275, Compound 2) 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=CCC(CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-30(2)32-12-19-43(45-22-23-46-24-26-51(48,49)27-25-46)21-20-40(6)34(37(32)43)8-9-36-39(5)15-13-33(38(3,4)35(39)14-16-41(36,40)7)31-10-17-42(28-44,18-11-31)50-29-47/h10,13,29,32,34-37,45H,1,8-9,11-12,14-28H2,2-7H3/t32-,34+,35-,36+,37+,39-,40+,41+,42?,43-/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	2	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