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PubMed code 8021916

Compile data set for download or QSAR
Found 11 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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM914
PNG
(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
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100 -41.6 125n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM918
PNG
((1S-(1R*,2S*(2S,3R*)))-[3-[[3-[[(1,1-Dimethylethox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H45N3O7/c1-29(2,3)39-27(37)32-23(16-20-10-8-7-9-11-20)25(35)18-31-19-26(36)24(33-28(38)40-30(4,5)6)17-21-12-14-22(34)15-13-21/h7-15,23-26,31,34-36H,16-19H2,1-6H3,(H,32,37)(H,33,38)/t23-,24-,25+,26+/m0/s1
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n/an/a 100n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM923
PNG
((1S-(1R*,2S*(2S*,3R*)))-[3-[[3-[[[(1,1-Dimethyleth...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H46N4O5/c1-29(2,3)34-27(37)32-23(17-21-13-9-7-10-14-21)25(35)19-31-20-26(36)24(18-22-15-11-8-12-16-22)33-28(38)39-30(4,5)6/h7-16,23-26,31,35-36H,17-20H2,1-6H3,(H,33,38)(H2,32,34,37)/t23-,24-,25+,26+/m0/s1
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n/an/a 400n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM917
PNG
((1S-(1R*,2S*(2S*,3S*)))-[3-[[3-[[(1,1-Dimethyletho...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N3O6/c1-30(2,3)39-28(37)33-24(18-17-22-13-9-7-10-14-22)26(35)20-32-21-27(36)25(19-23-15-11-8-12-16-23)34-29(38)40-31(4,5)6/h7-16,24-27,32,35-36H,17-21H2,1-6H3,(H,33,37)(H,34,38)/t24-,25-,26+,27+/m0/s1
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n/an/a 500n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM922
PNG
((1S-(1R*,2S*(2S*,3R*)))-[3-[[3-[[[(1,1-Dimethyleth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)SC(C)(C)C
Show InChI InChI=1S/C30H45N3O5S/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
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n/an/a 700n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM915
PNG
((R,S)-[Iminobis[1-(cyclohexylmethyl)-2-hydroxy-3,1...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)CNC[C@@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H57N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h21-26,31,34-35H,7-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
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n/an/a 800n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM920
PNG
((R-(R*,S*))-[Iminobis[2-hydroxy-1-(phenylmethyl)-3...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)C
Show InChI InChI=1S/C28H41N3O6/c1-19(2)36-27(34)30-23(15-21-11-7-5-8-12-21)25(32)17-29-18-26(33)24(31-28(35)37-20(3)4)16-22-13-9-6-10-14-22/h5-14,19-20,23-26,29,32-33H,15-18H2,1-4H3,(H,30,34)(H,31,35)/t23-,24-,25+,26+/m0/s1
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n/an/a 900n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM919
PNG
((R-(R*,S*))-[Iminobis[2-hydroxy-1-(phenylmethyl)-3...)
Show SMILES O[C@H](CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H41N3O6/c40-33(31(21-27-13-5-1-6-14-27)38-35(42)44-25-29-17-9-3-10-18-29)23-37-24-34(41)32(22-28-15-7-2-8-16-28)39-36(43)45-26-30-19-11-4-12-20-30/h1-20,31-34,37,40-41H,21-26H2,(H,38,42)(H,39,43)/t31-,32-,33+,34+/m0/s1
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n/an/a 3.40E+3n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM924
PNG
((1S-(1R*,2S*(2S*,3R*)))-[3-[[3-[(3,3-Dimethyl-1-ox...)
Show SMILES CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N3O5/c1-30(2,3)19-28(37)33-24(17-22-13-9-7-10-14-22)26(35)20-32-21-27(36)25(18-23-15-11-8-12-16-23)34-29(38)39-31(4,5)6/h7-16,24-27,32,35-36H,17-21H2,1-6H3,(H,33,37)(H,34,38)/t24-,25-,26+,27+/m0/s1
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n/an/a 4.00E+3n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM921
PNG
((1S-(1R*,2S*))-[Iminobis[2-hydroxy-1-(phenylmethyl...)
Show SMILES CC(C)(C)COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC(C)(C)C
Show InChI InChI=1S/C32H49N3O6/c1-31(2,3)21-40-29(38)34-25(17-23-13-9-7-10-14-23)27(36)19-33-20-28(37)26(18-24-15-11-8-12-16-24)35-30(39)41-22-32(4,5)6/h7-16,25-28,33,36-37H,17-22H2,1-6H3,(H,34,38)(H,35,39)/t25-,26-,27+,28+/m0/s1
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n/an/a 6.00E+3n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM925
PNG
(Aminodiol deriv. 16 | [(S,R)-3-[[(R,S)-3-[[(1,1-Di...)
Show SMILES CN([C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N3O6/c1-30(2,3)39-28(37)33-24(18-22-14-10-8-11-15-22)26(35)20-32-21-27(36)25(19-23-16-12-9-13-17-23)34(7)29(38)40-31(4,5)6/h8-17,24-27,32,35-36H,18-21H2,1-7H3,(H,33,37)/t24-,25-,26+,27+/m0/s1
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n/an/a 8.50E+3n/an/an/an/a5.537



Bristol-Myers Squibb Company



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 1758-68 (1994)


Article DOI: 10.1021/jm00038a005
BindingDB Entry DOI: 10.7270/Q257196C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%