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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'wiggins' and Initial = 'jm'   
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)
BDBM1277
PNG
(L-682, 679 analog 36 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO
Show InChI InChI=1S/C32H47N3O7/c1-21(2)28(30(40)33-19-25(37)20-36)35-29(39)24(16-22-12-8-6-9-13-22)18-27(38)26(17-23-14-10-7-11-15-23)34-31(41)42-32(3,4)5/h6-15,21,24-28,36-38H,16-20H2,1-5H3,(H,33,40)(H,34,41)(H,35,39)/t24-,25?,26+,27+,28+/m1/s1
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n/an/a 0.0500n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1276
PNG
(L-682, 679 analog 35 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO
Show InChI InChI=1S/C33H49N3O7/c1-6-22(2)29(31(41)34-20-26(38)21-37)36-30(40)25(17-23-13-9-7-10-14-23)19-28(39)27(18-24-15-11-8-12-16-24)35-32(42)43-33(3,4)5/h7-16,22,25-29,37-39H,6,17-21H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/t22?,25-,26?,27+,28+,29+/m1/s1
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n/an/a 0.150n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1269
PNG
(L-682, 679 analog 28 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H47N3O5/c1-25(2)32(34(42)37-24-28-19-13-8-14-20-28)39-33(41)29(21-26-15-9-6-10-16-26)23-31(40)30(22-27-17-11-7-12-18-27)38-35(43)44-36(3,4)5/h6-20,25,29-32,40H,21-24H2,1-5H3,(H,37,42)(H,38,43)(H,39,41)/t29-,30+,31+,32+/m1/s1
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n/an/a 0.240n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1266
PNG
(L-682, 679 analog 25 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H52N4O6/c1-6-26(2)34(37(47)41-32(35(40)45)24-29-20-14-9-15-21-29)43-36(46)30(22-27-16-10-7-11-17-27)25-33(44)31(23-28-18-12-8-13-19-28)42-38(48)49-39(3,4)5/h7-21,26,30-34,44H,6,22-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,48)(H,43,46)/t26?,30-,31+,32+,33+,34+/m1/s1
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n/an/a 0.25n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1275
PNG
(L-682, 679 analog 34 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C31H45N3O6/c1-21(2)27(29(38)32-16-17-35)34-28(37)24(18-22-12-8-6-9-13-22)20-26(36)25(19-23-14-10-7-11-15-23)33-30(39)40-31(3,4)5/h6-15,21,24-27,35-36H,16-20H2,1-5H3,(H,32,38)(H,33,39)(H,34,37)/t24-,25+,26+,27+/m1/s1
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n/an/a 0.440n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1274
PNG
(L-682, 679 analog 33 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C32H47N3O6/c1-6-22(2)28(30(39)33-17-18-36)35-29(38)25(19-23-13-9-7-10-14-23)21-27(37)26(20-24-15-11-8-12-16-24)34-31(40)41-32(3,4)5/h7-16,22,25-28,36-37H,6,17-21H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t22?,25-,26+,27+,28+/m1/s1
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n/an/a 0.460n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM751
PNG
(CHEMBL289195 | Hydroxyethylene dipeptide isostere ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34+/m1/s1
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n/an/a 0.600n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1268
PNG
(L-682, 679 analog 27 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H49N3O5/c1-6-26(2)33(35(43)38-25-29-20-14-9-15-21-29)40-34(42)30(22-27-16-10-7-11-17-27)24-32(41)31(23-28-18-12-8-13-19-28)39-36(44)45-37(3,4)5/h7-21,26,30-33,41H,6,22-25H2,1-5H3,(H,38,43)(H,39,44)(H,40,42)/t26?,30-,31+,32+,33+/m1/s1
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n/an/a 0.710n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1258
PNG
(L-682, 679 analog 17 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-18,25-28,36H,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1
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n/an/a 0.900n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1253
PNG
(L-682, 679 analog 3 | N-[5(S)-[(tert-Butoxycarbony...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H41N3O5/c1-19(2)25(26(30)34)32-27(35)22(16-20-12-8-6-9-13-20)18-24(33)23(17-21-14-10-7-11-15-21)31-28(36)37-29(3,4)5/h6-15,19,22-25,33H,16-18H2,1-5H3,(H2,30,34)(H,31,36)(H,32,35)/t22-,23+,24+,25+/m1/s1
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n/an/a 1.10n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1267
PNG
(L-682, 679 analog 26 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H49N3O5/c1-26(2)21-32(35(43)38-25-29-19-13-8-14-20-29)39-34(42)30(22-27-15-9-6-10-16-27)24-33(41)31(23-28-17-11-7-12-18-28)40-36(44)45-37(3,4)5/h6-20,26,30-33,41H,21-25H2,1-5H3,(H,38,43)(H,39,42)(H,40,44)/t30-,31+,32+,33+/m1/s1
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n/an/a 1.40n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1272
PNG
(L-682, 679 analog 31 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1
Show InChI InChI=1S/C39H53N3O6/c1-27(2)21-34(37(46)40-32(26-43)23-29-17-11-7-12-18-29)41-36(45)31(22-28-15-9-6-10-16-28)25-35(44)33(24-30-19-13-8-14-20-30)42-38(47)48-39(3,4)5/h6-20,27,31-35,43-44H,21-26H2,1-5H3,(H,40,46)(H,41,45)(H,42,47)/t31-,32?,33+,34+,35+/m1/s1
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n/an/a 1.5n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1273
PNG
(L-682, 679 analog 32 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C32H47N3O6/c1-22(2)18-27(30(39)33-16-17-36)34-29(38)25(19-23-12-8-6-9-13-23)21-28(37)26(20-24-14-10-7-11-15-24)35-31(40)41-32(3,4)5/h6-15,22,25-28,36-37H,16-21H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26+,27+,28+/m1/s1
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n/an/a 2.10n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1257
PNG
(L-682, 679 analog 16 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N3O5/c1-6-20(2)26(27(31)35)33-28(36)23(17-21-13-9-7-10-14-21)19-25(34)24(18-22-15-11-8-12-16-22)32-29(37)38-30(3,4)5/h7-16,20,23-26,34H,6,17-19H2,1-5H3,(H2,31,35)(H,32,37)(H,33,36)/t20?,23-,24+,25+,26+/m1/s1
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n/an/a 2.70n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1280
PNG
(L-682, 679 analog 39 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C34H52N4O5/c1-24(2)30(32(41)35-19-14-20-38(6)7)37-31(40)27(21-25-15-10-8-11-16-25)23-29(39)28(22-26-17-12-9-13-18-26)36-33(42)43-34(3,4)5/h8-13,15-18,24,27-30,39H,14,19-23H2,1-7H3,(H,35,41)(H,36,42)(H,37,40)/t27-,28+,29+,30+/m1/s1
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n/an/a 3.40n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1259
PNG
(L-682, 679 analog 18 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(N)=O
Show InChI InChI=1S/C32H45N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-5,7-10,13-16,24-28,36H,6,11-12,17-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1
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n/an/a 5.20n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1270
PNG
(L-682, 679 analog 29 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H45N3O5/c1-39(2,3)47-38(46)41-33(25-29-18-10-5-11-19-29)34(43)26-32(24-28-16-8-4-9-17-28)36(44)42-35(31-22-14-7-15-23-31)37(45)40-27-30-20-12-6-13-21-30/h4-23,32-35,43H,24-27H2,1-3H3,(H,40,45)(H,41,46)(H,42,44)/t32-,33+,34+,35+/m1/s1
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n/an/a 5.80n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1255
PNG
(L-682, 679 analog 14 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H37N3O5/c1-18(24(28)32)29-25(33)21(15-19-11-7-5-8-12-19)17-23(31)22(16-20-13-9-6-10-14-20)30-26(34)35-27(2,3)4/h5-14,18,21-23,31H,15-17H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t18-,21+,22-,23-/m0/s1
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n/an/a 7n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1279
PNG
(L-682, 679 analog 38 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C35H54N4O5/c1-8-25(2)31(33(42)36-20-15-21-39(6)7)38-32(41)28(22-26-16-11-9-12-17-26)24-30(40)29(23-27-18-13-10-14-19-27)37-34(43)44-35(3,4)5/h9-14,16-19,25,28-31,40H,8,15,20-24H2,1-7H3,(H,36,42)(H,37,43)(H,38,41)/t25?,28-,29+,30+,31+/m1/s1
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n/an/a 7.90n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1256
PNG
(L-682, 679 analog 15 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N3O5/c1-20(2)16-25(27(31)35)32-28(36)23(17-21-12-8-6-9-13-21)19-26(34)24(18-22-14-10-7-11-15-22)33-29(37)38-30(3,4)5/h6-15,20,23-26,34H,16-19H2,1-5H3,(H2,31,35)(H,32,36)(H,33,37)/t23-,24+,25+,26+/m1/s1
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n/an/a 10n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1271
PNG
(L-682, 679 analog 30 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C38H51N3O5/c1-27(2)23-33(36(44)39-22-21-28-15-9-6-10-16-28)40-35(43)31(24-29-17-11-7-12-18-29)26-34(42)32(25-30-19-13-8-14-20-30)41-37(45)46-38(3,4)5/h6-20,27,31-34,42H,21-26H2,1-5H3,(H,39,44)(H,40,43)(H,41,45)/t31-,32+,33+,34+/m1/s1
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n/an/a 15n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1278
PNG
(L-682, 679 analog 37 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C35H54N4O5/c1-25(2)21-30(33(42)36-19-14-20-39(6)7)37-32(41)28(22-26-15-10-8-11-16-26)24-31(40)29(23-27-17-12-9-13-18-27)38-34(43)44-35(3,4)5/h8-13,15-18,25,28-31,40H,14,19-24H2,1-7H3,(H,36,42)(H,37,41)(H,38,43)/t28-,29+,30+,31+/m1/s1
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n/an/a 23n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1281
PNG
(L-682, 679 analog 40 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CN(C)CCCNC(=O)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H50N4O5/c1-37(2,3)46-36(45)39-31(25-28-18-11-7-12-19-28)32(42)26-30(24-27-16-9-6-10-17-27)34(43)40-33(29-20-13-8-14-21-29)35(44)38-22-15-23-41(4)5/h6-14,16-21,30-33,42H,15,22-26H2,1-5H3,(H,38,44)(H,39,45)(H,40,43)/t30-,31+,32+,33+/m1/s1
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n/an/a 26n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1260
PNG
(L-682, 679 analog 19 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)36-27(20-24-15-9-5-10-16-24)29(37)22-26(19-23-13-7-4-8-14-23)31(39)35-28(30(34)38)21-25-17-11-6-12-18-25/h4-18,26-29,37H,19-22H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t26-,27+,28+,29+/m1/s1
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n/an/a 29n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014955
PNG
(4-Hydroxy-6-[2-(2,4,7-trichloro-naphthalen-1-yl)-e...)
Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)OC(=O)C1
Show InChI InChI=1S/C17H15Cl3O3/c18-9-1-3-12-14(5-9)13(16(20)8-15(12)19)4-2-11-6-10(21)7-17(22)23-11/h1,3,5,8,10-11,21H,2,4,6-7H2/t10-,11?/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014949
PNG
(4-Hydroxy-6-[2-(2,4,6-trichloro-naphthalen-1-yl)-e...)
Show SMILES O[C@@H]1CC(CCc2c(Cl)cc(Cl)c3cc(Cl)ccc23)OC(=O)C1
Show InChI InChI=1S/C17H15Cl3O3/c18-9-1-3-12-13(15(19)8-16(20)14(12)5-9)4-2-11-6-10(21)7-17(22)23-11/h1,3,5,8,10-11,21H,2,4,6-7H2/t10-,11?/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1263
PNG
(L-682, 679 analog 22 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(N)=O
Show InChI InChI=1S/C35H42N4O5/c1-35(2,3)44-34(43)39-29(19-24-14-8-5-9-15-24)31(40)21-26(18-23-12-6-4-7-13-23)33(42)38-30(32(36)41)22-27-20-25-16-10-11-17-28(25)37-27/h4-17,20,26,29-31,37,40H,18-19,21-22H2,1-3H3,(H2,36,41)(H,38,42)(H,39,43)/t26-,29+,30+,31+/m1/s1
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n/an/a 60n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014956
PNG
(6-[2-(4,7-Dichloro-2-methyl-naphthalen-1-yl)-ethyl...)
Show SMILES Cc1cc(Cl)c2ccc(Cl)cc2c1CCC1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C18H18Cl2O3/c1-10-6-17(20)15-4-2-11(19)7-16(15)14(10)5-3-13-8-12(21)9-18(22)23-13/h2,4,6-7,12-13,21H,3,5,8-9H2,1H3/t12-,13?/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1261
PNG
(L-682, 679 analog 20 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C33H47N3O5/c1-33(2,3)41-32(40)36-27(20-24-15-9-5-10-16-24)29(37)22-26(19-23-13-7-4-8-14-23)31(39)35-28(30(34)38)21-25-17-11-6-12-18-25/h4-5,7-10,13-16,25-29,37H,6,11-12,17-22H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t26-,27+,28+,29+/m1/s1
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n/an/a 64n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014954
PNG
(6-[2-(2,7-Dichloro-4-methyl-naphthalen-1-yl)-ethyl...)
Show SMILES Cc1cc(Cl)c(CCC2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H18Cl2O3/c1-10-6-17(20)15(16-7-11(19)2-4-14(10)16)5-3-13-8-12(21)9-18(22)23-13/h2,4,6-7,12-13,21H,3,5,8-9H2,1H3/t12-,13?/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014948
PNG
(6-[2-(7-Chloro-2,4-dimethyl-naphthalen-1-yl)-ethyl...)
Show SMILES Cc1cc(C)c2ccc(Cl)cc2c1CCC1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C19H21ClO3/c1-11-7-12(2)17(18-8-13(20)3-5-16(11)18)6-4-15-9-14(21)10-19(22)23-15/h3,5,7-8,14-15,21H,4,6,9-10H2,1-2H3/t14-,15?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014957
PNG
(4-Hydroxy-6-[2-(2,4,7-trimethyl-naphthalen-1-yl)-e...)
Show SMILES Cc1ccc2c(C)cc(C)c(CCC3C[C@@H](O)CC(=O)O3)c2c1
Show InChI InChI=1S/C20H24O3/c1-12-4-6-17-13(2)9-14(3)18(19(17)8-12)7-5-16-10-15(21)11-20(22)23-16/h4,6,8-9,15-16,21H,5,7,10-11H2,1-3H3/t15-,16?/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1254
PNG
(L-682, 679 analog 13 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C26H35N3O5/c1-26(2,3)34-25(33)29-21(15-19-12-8-5-9-13-19)22(30)16-20(24(32)28-17-23(27)31)14-18-10-6-4-7-11-18/h4-13,20-22,30H,14-17H2,1-3H3,(H2,27,31)(H,28,32)(H,29,33)/t20-,21+,22+/m1/s1
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n/an/a 550n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1262
PNG
(L-682, 679 analog 21 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C27H37N3O6/c1-27(2,3)36-26(35)30-21(15-19-12-8-5-9-13-19)23(32)16-20(14-18-10-6-4-7-11-18)25(34)29-22(17-31)24(28)33/h4-13,20-23,31-32H,14-17H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21+,22+,23+/m1/s1
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n/an/a 606n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1264
PNG
(L-682, 679 analog 23 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ncc[nH]1)C(N)=O
Show InChI InChI=1S/C30H39N5O5/c1-30(2,3)40-29(39)35-23(17-21-12-8-5-9-13-21)25(36)18-22(16-20-10-6-4-7-11-20)28(38)34-24(27(31)37)19-26-32-14-15-33-26/h4-15,22-25,36H,16-19H2,1-3H3,(H2,31,37)(H,32,33)(H,34,38)(H,35,39)/t22-,23+,24+,25+/m1/s1
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n/an/a 770n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014950
PNG
(6-[2-(2-Chloro-naphthalen-1-yl)-vinyl]-4-hydroxy-t...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)ccc2ccccc12
Show InChI InChI=1S/C17H15ClO3/c18-16-8-5-11-3-1-2-4-14(11)15(16)7-6-13-9-12(19)10-17(20)21-13/h1-8,12-13,19H,9-10H2/b7-6+/t12-,13-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1265
PNG
(L-682, 679 analog 24 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N3O5/c1-20(2)16-25(27(31)35)32-28(36)23(17-21-12-8-6-9-13-21)19-26(34)24(18-22-14-10-7-11-15-22)33-29(37)38-30(3,4)5/h6-15,20,23-26,34H,16-19H2,1-5H3,(H2,31,35)(H,32,36)(H,33,37)/t23-,24+,25-,26+/m1/s1
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n/an/a 3.10E+3n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



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 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014947
PNG
(6-[2-(4-Bromo-naphthalen-1-yl)-vinyl]-4-hydroxy-te...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccc(Br)c2ccccc12
Show InChI InChI=1S/C17H15BrO3/c18-16-8-6-11(14-3-1-2-4-15(14)16)5-7-13-9-12(19)10-17(20)21-13/h1-8,12-13,19H,9-10H2/b7-5+/t12-,13-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014958
PNG
(6-[2-(8-Bromo-naphthalen-1-yl)-vinyl]-4-hydroxy-te...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1cccc2cccc(Br)c12
Show InChI InChI=1S/C17H15BrO3/c18-15-6-2-5-11-3-1-4-12(17(11)15)7-8-14-9-13(19)10-16(20)21-14/h1-8,13-14,19H,9-10H2/b8-7+/t13-,14-/m1/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014953
PNG
(6-[2-(4,6-Dichloro-naphthalen-1-yl)-ethyl]-4-hydro...)
Show SMILES O[C@@H]1CC(CCc2ccc(Cl)c3cc(Cl)ccc23)OC(=O)C1
Show InChI InChI=1S/C17H16Cl2O3/c18-11-3-5-14-10(2-6-16(19)15(14)7-11)1-4-13-8-12(20)9-17(21)22-13/h2-3,5-7,12-13,20H,1,4,8-9H2/t12-,13?/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014951
PNG
(6-[2-(4-Bromo-naphthalen-1-yl)-ethyl]-4-hydroxy-te...)
Show SMILES O[C@@H]1CC(CCc2ccc(Br)c3ccccc23)OC(=O)C1
Show InChI InChI=1S/C17H17BrO3/c18-16-8-6-11(14-3-1-2-4-15(14)16)5-7-13-9-12(19)10-17(20)21-13/h1-4,6,8,12-13,19H,5,7,9-10H2/t12-,13?/m1/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014952
PNG
(4-Hydroxy-6-(2-naphthalen-1-yl-ethyl)-tetrahydro-p...)
Show SMILES O[C@@H]1CC(CCc2cccc3ccccc23)OC(=O)C1
Show InChI InChI=1S/C17H18O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,18H,8-11H2/t14-,15?/m1/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase


J Med Chem 33: 758-65 (1990)


Article DOI: 10.1021/jm00164a047
BindingDB Entry DOI: 10.7270/Q2JQ1006
More data for this
Ligand-Target Pair