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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM372406'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372406
PNG
(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)NCC[C@]1(O)CC[C@@](C)(O)CC1 |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.28,43.49,47.54,wD:11.11,3.2,9.9,23.23,43.48,47.53,t:18,20,(1.25,6.84,;.85,5.35,;-.64,4.95,;1.94,4.26,;3.47,4.42,;4.09,3.02,;2.95,1.99,;2.95,.45,;1.62,-.32,;.28,.45,;.28,-1.09,;.28,1.99,;-1.05,2.76,;-2.39,1.99,;-2.39,.45,;-3.72,-.32,;-3.72,1.22,;-5.05,.45,;-6.39,-.32,;-6.39,-1.86,;-7.72,-2.63,;-9.05,-1.86,;-10.39,-2.63,;-10.39,-4.17,;-11.72,-3.4,;-11.72,-1.86,;-9.05,-4.94,;-7.72,-4.17,;-11.16,-5.51,;-12.7,-5.51,;-10.39,-6.84,;-5.05,-2.63,;-5.82,-3.97,;-4.28,-3.97,;-3.72,-1.86,;-2.39,-2.63,;-1.05,-1.86,;-1.05,-.32,;-1.05,1.22,;1.62,2.76,;4.28,1.22,;5.62,1.99,;6.95,1.22,;8.28,1.99,;6.95,2.76,;9.05,3.32,;10.59,3.32,;11.36,1.99,;12.7,1.22,;12.7,2.76,;10.59,.65,;9.05,.65,)|
Show InChI InChI=1S/C46H72FNO4/c1-30(2)32-13-20-46(48-28-27-45(52)24-21-40(5,51)22-25-45)26-23-42(7)34(37(32)46)9-10-36-41(6)16-14-33(39(3,4)35(41)15-17-43(36,42)8)31-11-18-44(29-47,19-12-31)38(49)50/h11,14,32,34-37,48,51-52H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,40-,41-,42+,43+,44-,45+,46-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.65n/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