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Articleid 50029238

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 [489-587]


(Human immunodeficiency virus type 1)		BDBM50282581
PNG
((4S,6S)-4,6-Dibenzyl-1,3-bis-cyclopropylmethyl-5-h...)
Show SMILES OC1[C@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25-23(15-19-7-3-1-4-8-19)27(17-21-11-12-21)26(30)28(18-22-13-14-22)24(25)16-20-9-5-2-6-10-20/h1-10,21-25,29H,11-18H2/t23-,24-/m0/s1
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Article
n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease

Bioorg Med Chem Lett 4: 1247-1252 (1994)


Article DOI: 10.1016/S0960-894X(01)80339-5
BindingDB Entry DOI: 10.7270/Q2MS3SQ6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50282584
PNG
((4S,6S)-1,3-Diallyl-4,6-dibenzyl-5-hydroxy-tetrahy...)
Show SMILES OC1[C@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-3-15-25-21(17-19-11-7-5-8-12-19)23(27)22(26(16-4-2)24(25)28)18-20-13-9-6-10-14-20/h3-14,21-23,27H,1-2,15-18H2/t21-,22-/m0/s1
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Article
n/an/a 5.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease

Bioorg Med Chem Lett 4: 1247-1252 (1994)


Article DOI: 10.1016/S0960-894X(01)80339-5
BindingDB Entry DOI: 10.7270/Q2MS3SQ6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50282583
PNG
((4S,6S)-1,3,4,6-Tetrabenzyl-5-hydroxy-tetrahydro-p...)
Show SMILES OC1[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C32H32N2O2/c35-31-29(21-25-13-5-1-6-14-25)33(23-27-17-9-3-10-18-27)32(36)34(24-28-19-11-4-12-20-28)30(31)22-26-15-7-2-8-16-26/h1-20,29-31,35H,21-24H2/t29-,30-/m0/s1
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Article
n/an/a 8.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease

Bioorg Med Chem Lett 4: 1247-1252 (1994)


Article DOI: 10.1016/S0960-894X(01)80339-5
BindingDB Entry DOI: 10.7270/Q2MS3SQ6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50282582
PNG
((4S,6S)-4,6-Dibenzyl-5-hydroxy-tetrahydro-pyrimidi...)
Show SMILES OC1[C@H](Cc2ccccc2)NC(=O)N[C@H]1Cc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)20-16(17)12-14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H2,19,20,22)/t15-,16-/m0/s1
PDB
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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease

Bioorg Med Chem Lett 4: 1247-1252 (1994)


Article DOI: 10.1016/S0960-894X(01)80339-5
BindingDB Entry DOI: 10.7270/Q2MS3SQ6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%