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6 similar compounds to monomer 50330756

Compile data set for download or QSAR
Wt: 392.4
BDBM50172748
Wt: 392.4
BDBM50172750
Wt: 420.4
BDBM50172752
Wt: 474.5
BDBM50330759
Wt: 474.5
BDBM50330760
Wt: 406.4
BDBM50330762

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50172748,50172750,50172752,50330759,50330760,50330762   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50172752
PNG
(5-O-methylmammeisin | 7-Hydroxy-5-methoxy-8-(3-met...)
Show SMILES COc1c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c12
Show InChI InChI=1S/C26H28O5/c1-15(2)11-12-18-24(29)23(20(27)13-16(3)4)26(30-5)22-19(14-21(28)31-25(18)22)17-9-7-6-8-10-17/h6-11,14,16,29H,12-13H2,1-5H3
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.22E+4n/an/an/an/an/an/a



Instituto de Salud Carlos III

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human immunodeficiency virus 1 reverse transcriptase


Bioorg Med Chem Lett 15: 4447-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.041
BindingDB Entry DOI: 10.7270/Q2QN669G
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50172750
PNG
(5,7-Dihydroxy-8-isobutyryl-6-(3-methyl-but-2-enyl)...)
Show SMILES CC(C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)19-17(15-8-6-5-7-9-15)12-18(25)29-24(19)20(23(16)28)21(26)14(3)4/h5-10,12,14,27-28H,11H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.19E+4n/an/an/an/an/an/a



Instituto de Salud Carlos III

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human immunodeficiency virus 1 reverse transcriptase


Bioorg Med Chem Lett 15: 4447-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.041
BindingDB Entry DOI: 10.7270/Q2QN669G
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50172748
PNG
(2,7-Dihydroxy-6-isobutyryl-8-(3-methyl-but-2-enyl)...)
Show SMILES CC(C)C(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O
Show InChI InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)20(21(26)14(3)4)23(28)19-17(12-18(25)29-24(16)19)15-8-6-5-7-9-15/h5-10,12,14,27-28H,11H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Instituto de Salud Carlos III

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human immunodeficiency virus 1 reverse transcriptase


Bioorg Med Chem Lett 15: 4447-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.041
BindingDB Entry DOI: 10.7270/Q2QN669G
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50330762
PNG
(5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbu...)
Show SMILES CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
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Article
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n/an/a 3.23E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human T47D cells expressing pGL3 construct after 16 hrs by cell-based luciferase reporter assay


J Nat Prod 74: 240-8 (2011)


Article DOI: 10.1021/np100762s
BindingDB Entry DOI: 10.7270/Q2N58Q6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50330760
PNG
(5,7-dihydroxy-8-(3-methylbutanoyl)-6-[(E)-3,7-dime...)
Show SMILES CCC(C)C(=O)c1c(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-6-20(5)27(32)26-29(34)22(16-15-19(4)12-10-11-18(2)3)28(33)25-23(17-24(31)35-30(25)26)21-13-8-7-9-14-21/h7-9,11,13-15,17,20,33-34H,6,10,12,16H2,1-5H3/b19-15+
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 120 secs by Ellman spectroscopic method


Bioorg Med Chem 18: 7873-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.044
BindingDB Entry DOI: 10.7270/Q2B27VH4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50330762
PNG
(5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbu...)
Show SMILES CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
UniProtKB/SwissProt

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CHEBI
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 120 secs by Ellman spectroscopic method


Bioorg Med Chem 18: 7873-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.044
BindingDB Entry DOI: 10.7270/Q2B27VH4
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50330762
PNG
(5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbu...)
Show SMILES CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of 1,10-phenanthrolin-induced HIF1 activation in human T47D cells expressing pGL3 construct after 16 hrs by cell-based luciferase reporter...


J Nat Prod 74: 240-8 (2011)


Article DOI: 10.1021/np100762s
BindingDB Entry DOI: 10.7270/Q2N58Q6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50330759
PNG
(5,7-dihydroxy-8-(2-methylbutanoyl)-6-[(E)-3,7-dime...)
Show SMILES CC(C)CC(=O)c1c(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-18(2)10-9-11-20(5)14-15-22-28(33)26-23(21-12-7-6-8-13-21)17-25(32)35-30(26)27(29(22)34)24(31)16-19(3)4/h6-8,10,12-14,17,19,33-34H,9,11,15-16H2,1-5H3/b20-14+
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 120 secs by Ellman spectroscopic method


Bioorg Med Chem 18: 7873-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.044
BindingDB Entry DOI: 10.7270/Q2B27VH4
More data for this
Ligand-Target Pair