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12 similar compounds to monomer 50073623

Compile data set for download or QSAR
Wt: 440.4
BDBM50073625
Wt: 440.4
BDBM50073632
Wt: 440.4
BDBM50073633
Wt: 440.4
BDBM50073639
Wt: 414.4
BDBM50073641
Wt: 440.4
BDBM50073642
Wt: 440.4
BDBM50076274
Wt: 332.3
BDBM50375784
Wt: 316.3
BDBM50375785
Wt: 326.2
BDBM50439692
Wt: 326.2
BDBM50439697
Wt: 292.3
BDBM166685
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50073625,50073632,50073633,50073639,50073641,50073642,50076274,50375784,50375785,50439692,50439697,166685   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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2.24E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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2.38E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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4.75E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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6.45E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073632
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCCC(C2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6-,11-7-
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n/an/a 1.63E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073633
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OC2CCCCC2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073639
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OC2CCCC(C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6+,11-7+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073641
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C22H22O8/c23-17-7-3-15(13-19(17)25)5-9-21(27)29-11-1-2-12-30-22(28)10-6-16-4-8-18(24)20(26)14-16/h3-10,13-14,23-26H,1-2,11-12H2/b9-5+,10-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073642
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCC(CC2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-19-9-1-15(13-21(19)27)3-11-23(29)31-17-5-7-18(8-6-17)32-24(30)12-4-16-2-10-20(26)22(28)14-16/h1-4,9-14,17-18,25-28H,5-8H2/b11-3-,12-4-
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439697
PNG
(CHEMBL2418234)
Show SMILES O[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11+,13+,14+,15-/s2
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n/an/a 9.54E+5n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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n/an/a 4.37E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439697
PNG
(CHEMBL2418234)
Show SMILES O[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11+,13+,14+,15-/s2
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n/an/a 4.97E+5n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of rat intestine maltase using maltose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/s2
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n/an/a 5.31E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of rat intestine maltase using maltose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50375784
PNG
(CHEMBL408621)
Show SMILES CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C19H24O5/c1-18(2)12-6-7-19(18,3)15(10-12)24-16(22)5-4-11-8-13(20)17(23)14(21)9-11/h4-5,8-9,12,15,20-21,23H,6-7,10H2,1-3H3/b5-4+/t12?,15?,19-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 2385-90 (2008)


Article DOI: 10.1016/j.bmc.2007.11.070
BindingDB Entry DOI: 10.7270/Q2CC11K7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50375785
PNG
(CHEMBL261166)
Show SMILES CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H24O4/c1-18(2)13-8-9-19(18,3)16(11-13)23-17(22)7-5-12-4-6-14(20)15(21)10-12/h4-7,10,13,16,20-21H,8-9,11H2,1-3H3/b7-5+/t13?,16?,19-/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 2385-90 (2008)


Article DOI: 10.1016/j.bmc.2007.11.070
BindingDB Entry DOI: 10.7270/Q2CC11K7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073625
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCCCC2OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7-,12-8-
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n/an/a 8.36E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076274
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM166685
PNG
(Octyl (2E)‐3‐(3,4‐dihydroxypheny...)
Show SMILES CCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3/b11-9+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by ELISA


Bioorg Med Chem Lett 18: 6553-7 (2008)

More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM166685
PNG
(Octyl (2E)‐3‐(3,4‐dihydroxypheny...)
Show SMILES CCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3/b11-9+
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n/an/a 840n/an/an/an/a7.525



DePaul University



Assay Description
All assays were performed at 100 ÁL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...


Chem Biol Drug Des 86: 1049-54 (2015)


Article DOI: 10.1111/cbdd.12572
BindingDB Entry DOI: 10.7270/Q2XK8D9W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076274
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1
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Article
PubMed
n/an/a>2.48E+4n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair