BindingDB logo
myBDB logout

PubMed code 8642563

Compile data set for download or QSAR
Found 18 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)
BDBM499
PNG
(6-hexyl-3-[(6-hexyl-4,7-dihydroxy-2-oxo-3,4-dihydr...)
Show SMILES CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
Show InChI InChI=1S/C37H42O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31-32,34,38-41H,3-8,10-11,16-17H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM510
PNG
(11,12-dihydroxy-5,10-dioxo-4a,5,10,11,12,12a-hexah...)
Show SMILES OC1(C2N=CC=CC2C2=C(C(=O)c3ccccc3C2=O)C1(O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H13NO10S2/c19-13-8-4-1-2-5-9(8)14(20)12-11(13)10-6-3-7-18-15(10)17(22,30(26,27)28)16(12,21)29(23,24)25/h1-7,10,15,21-22H,(H,23,24,25)(H,26,27,28)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM503
PNG
(3-benzyl-4,5-dihydroxy-2H-chromen-2-one | CHEMBL64...)
Show SMILES Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
Show InChI InChI=1S/C16H12O4/c17-12-7-4-8-13-14(12)15(18)11(16(19)20-13)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM514
PNG
(4-hydroxy-3,8-diphenyl-2H-chromen-2-one | Cancer C...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C21H14O3/c22-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)24-21(23)18(19)15-10-5-2-6-11-15/h1-13,22H
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM507
PNG
(1,8a-dihydroxy-4a,5,6-trimethyl-decahydronaphthale...)
Show SMILES CC1CCC2(O)C(O)C(CCC2(C)C1C)OC(C)=O
Show InChI InChI=1S/C15H26O4/c1-9-5-8-15(18)13(17)12(19-11(3)16)6-7-14(15,4)10(9)2/h9-10,12-13,17-18H,5-8H2,1-4H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM511
PNG
(2-{[(benzyloxy)carbonyl]amino}-2-(2-methylpropyl)p...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)(C(O)=O)C(O)=O
Show InChI InChI=1S/C15H19NO6/c1-10(2)8-15(12(17)18,13(19)20)16-14(21)22-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM500
PNG
(4-hydroxy-3-[(4-hydroxy-2-oxo-3,4-dihydro-2H-1-ben...)
Show SMILES OC1C(Sc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C18H12O6S/c19-13-9-5-1-3-7-11(9)23-17(21)15(13)25-16-14(20)10-6-2-4-8-12(10)24-18(16)22/h1-8,13,15,19-20H
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM504
PNG
(2-acetamido-2-(thiophen-3-ylmethyl)propanedioic ac...)
Show SMILES CC(=O)NC(Cc1ccsc1)(C(O)=O)C(O)=O
Show InChI InChI=1S/C10H11NO5S/c1-6(12)11-10(8(13)14,9(15)16)4-7-2-3-17-5-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM508
PNG
(2-[(2,4-dichlorophenyl)(3-hydroxy-1,4-dioxo-1,4-di...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H14Cl2O6/c28-12-9-10-17(18(29)11-12)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM512
PNG
(2-butanoyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methy...)
Show SMILES CCCC(=O)C1C(=O)C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h13,17,27-29H,6-10H2,1-5H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM501
PNG
(4-{2-[(1R,2R,10S,11R,14S,15S,17S)-14,17-dihydroxy-...)
Show SMILES C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
Show InChI InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17+,18-,22-,23-,24-,25-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM505
PNG
(3-[2H-1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chro...)
Show SMILES Oc1c(C(c2ccc3OCOc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM516
PNG
(CHEMBL62658 | N-[2,6-bis(propan-2-yl)phenyl]-6-(4-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H33NO6/c1-19(2)23-14-10-15-24(20(3)4)30(23)34-32(38)27(36)18-22(35)17-26(21-11-6-5-7-12-21)29-31(37)25-13-8-9-16-28(25)40-33(29)39/h5-16,19-20,26,37H,17-18H2,1-4H3,(H,34,38)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM509
PNG
(Cancer Chemotherapy National Service Center (CCNSC...)
Show SMILES OCCN(C(C(O)c1ccccc1)c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H23NO4/c25-17-16-24(23(27)28-20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)22(26)19-12-6-2-7-13-19/h1-15,21-22,25-26H,16-17H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM513
PNG
((2S,3R,4R,4aS,6aR,6bR,8aS,12aS,14aS,14bR)-2,3-dihy...)
Show SMILES CC1(C)CC[C@@]2(CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)([C@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20-,21-,22-,26+,27-,28+,29+,30-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM515
PNG
(4-hydroxy-3-phenyl-2H-chromen-2-one | Cancer Chemo...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/a6.537



National Institutes of Health



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 39: 2047-54 (1996)


Article DOI: 10.1021/jm950874+
BindingDB Entry DOI: 10.7270/Q2S46Q4W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%