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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)NC(=O)CC1CCOCC1

InChI Key: InChIKey=JNFZKZMROQOMFU-IZNCKQQFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 372352   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gag-Pol polyprotein [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM372352
PNG
(Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...)
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)NC(=O)CC1CCOCC1 |r,t:18,20|
Show InChI InChI=1S/C44H66FNO4/c1-28(2)31-12-21-44(46-36(47)26-29-15-24-50-25-16-29)23-22-41(6)33(37(31)44)8-9-35-40(5)17-13-32(39(3,4)34(40)14-18-42(35,41)7)30-10-19-43(27-45,20-11-30)38(48)49/h10,13,29,31,33-35,37H,1,8-9,11-12,14-27H2,2-7H3,(H,46,47)(H,48,49)/t31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>50n/an/an/an/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...)
BDBM372352
PNG
(Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...)
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)NC(=O)CC1CCOCC1 |r,t:18,20|
Show InChI InChI=1S/C44H66FNO4/c1-28(2)31-12-21-44(46-36(47)26-29-15-24-50-25-16-29)23-22-41(6)33(37(31)44)8-9-35-40(5)17-13-32(39(3,4)34(40)14-18-42(35,41)7)30-10-19-43(27-45,20-11-30)38(48)49/h10,13,29,31,33-35,37H,1,8-9,11-12,14-27H2,2-7H3,(H,46,47)(H,48,49)/t31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>50n/an/an/an/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