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36 similar compounds to monomer 50165128

Compile data set for download or QSAR
Wt: 519.4
BDBM50005792
Wt: 264.2
BDBM50008015
Purchase
Wt: 291.2
BDBM50094282
Wt: 453.6
BDBM50027053
Wt: 257.3
BDBM50013078
Purchase
Wt: 285.2
BDBM50144930
Purchase
Wt: 282.2
BDBM50144934
Purchase
Wt: 297.2
BDBM50144942
Purchase
Wt: 267.2
BDBM50144937
Purchase
Wt: 285.2
BDBM50144938
Purchase
Wt: 281.2
BDBM50144939
Purchase
Wt: 297.2
BDBM50144947
Purchase
Wt: 458.5
BDBM50165118
Wt: 382.4
BDBM50165119
Wt: 367.4
BDBM50165127
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50005792,50008015,50094282,50027053,50013078,50144930,50144934,50144942,50144937,50144938,50144939,50144947,50165118,50165119,50165127   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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208n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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>5.05E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094282
PNG
(2-Amino-9-(5-ethynyl-4-hydroxy-5-hydroxymethyl-tet...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H](O)[C@@](CO)(O1)C#C
Show InChI InChI=1S/C12H13N5O4/c1-2-12(4-18)6(19)3-7(21-12)17-5-14-8-9(17)15-11(13)16-10(8)20/h1,5-7,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7-,12-/m1/s1
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n/an/an/an/a 5.40n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 MDR using MAGI assay


J Med Chem 43: 4516-25 (2000)


Article DOI: 10.1021/jm000209n
BindingDB Entry DOI: 10.7270/Q2GM881Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144930
PNG
(2-Amino-9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-hydr...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
Show InChI InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144934
PNG
((2R,3R,4R,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydro...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O5/c1-11(19)7(17)5(2-16)20-10(11)15-4-14-6-8(15)12-3-13-9(6)18/h3-5,7,10,16-17,19H,2H2,1H3,(H,12,13,18)/t5-,7-,10-,11-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144937
PNG
(2-Amino-9-((2R,3R,5S)-3-hydroxy-5-hydroxymethyl-te...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144939
PNG
((2R,3R,4R,5R)-2-(2-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cnc(N)nc12
Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)6(3-17)20-9(11)16-4-14-5-2-13-10(12)15-8(5)16/h2,4,6-7,9,17-19H,3H2,1H3,(H2,12,13,15)/t6-,7-,9-,11-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144938
PNG
(2-Amino-9-((2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-hydr...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144942
PNG
(2'-C-Me-guanosine | 2'-C-methyl-guanosine | 2'-C-m...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H15N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-4,6,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,9-,11-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144938
PNG
(2-Amino-9-((2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-hydr...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144947
PNG
(2-Amino-9-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl...)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144939
PNG
((2R,3R,4R,5R)-2-(2-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cnc(N)nc12
Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)6(3-17)20-9(11)16-4-14-5-2-13-10(12)15-8(5)16/h2,4,6-7,9,17-19H,3H2,1H3,(H2,12,13,15)/t6-,7-,9-,11-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144947
PNG
(2-Amino-9-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl...)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144937
PNG
(2-Amino-9-((2R,3R,5S)-3-hydroxy-5-hydroxymethyl-te...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144934
PNG
((2R,3R,4R,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydro...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O5/c1-11(19)7(17)5(2-16)20-10(11)15-4-14-6-8(15)12-3-13-9(6)18/h3-5,7,10,16-17,19H,2H2,1H3,(H,12,13,18)/t5-,7-,10-,11-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165118
PNG
(2-Amino-7-benzyl-9-((2R,4S,5R)-5-hydroxymethyl-3,4...)
Show SMILES CC(C)O[C@H]1[C@@H](CO)O[C@H](C1OC(C)C)n1c[n+](Cc2ccccc2)c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C23H31N5O5/c1-13(2)31-18-16(11-29)33-22(19(18)32-14(3)4)28-12-27(10-15-8-6-5-7-9-15)17-20(28)25-23(24)26-21(17)30/h5-9,12-14,16,18-19,22,29H,10-11H2,1-4H3,(H2-,24,25,26,30)/p+1/t16-,18+,19?,22-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E


Bioorg Med Chem Lett 15: 2177-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.080
BindingDB Entry DOI: 10.7270/Q27D2VWP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165119
PNG
(2-Amino-9-((2R,4S,5R)-5-hydroxymethyl-3,4-diisopro...)
Show SMILES CC(C)O[C@H]1[C@@H](CO)O[C@H](C1OC(C)C)n1c[n+](C)c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27N5O5/c1-8(2)25-12-10(6-23)27-16(13(12)26-9(3)4)22-7-21(5)11-14(22)19-17(18)20-15(11)24/h7-10,12-13,16,23H,6H2,1-5H3,(H2-,18,19,20,24)/p+1/t10-,12+,13?,16-/m1/s1
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E


Bioorg Med Chem Lett 15: 2177-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.080
BindingDB Entry DOI: 10.7270/Q27D2VWP
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50165127
PNG
(2-Amino-9-((2R,4S,5R)-5-hydroxymethyl-3,4-diisopro...)
Show SMILES CC(C)O[C@H]1[C@@H](CO)O[C@H](C1OC(C)C)n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H25N5O5/c1-7(2)24-11-9(5-22)26-15(12(11)25-8(3)4)21-6-18-10-13(21)19-16(17)20-14(10)23/h6-9,11-12,15,22H,5H2,1-4H3,(H3,17,19,20,23)/t9-,11+,12?,15-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E


Bioorg Med Chem Lett 15: 2177-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.080
BindingDB Entry DOI: 10.7270/Q27D2VWP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50013078
PNG
(CHEMBL3623261)
Show SMILES Cn1cc(\C=C2\NC(=S)NC2=O)c2ccccc12
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-17-16-19-14-13(15(24)20-16)18-9-21(14)12-7-10(23)11(8-22)25-12/h9-12,22-23H,2-8H2,1H3,(H2,17,19,20,24)
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n/an/an/an/a 4.90E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094282
PNG
(2-Amino-9-(5-ethynyl-4-hydroxy-5-hydroxymethyl-tet...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H](O)[C@@](CO)(O1)C#C
Show InChI InChI=1S/C12H13N5O4/c1-2-12(4-18)6(19)3-7(21-12)17-5-14-8-9(17)15-11(13)16-10(8)20/h1,5-7,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7-,12-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay


J Med Chem 43: 4516-25 (2000)


Article DOI: 10.1021/jm000209n
BindingDB Entry DOI: 10.7270/Q2GM881Z
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50008015
PNG
(CHEMBL3234376)
Show SMILES OC(=O)\C=C\C(O)=O.C[S+](C)CCCC([O-])=O
Show InChI InChI=1S/C6H12O2S.C4H4O4/c1-9(2)5-3-4-6(7)8;5-3(6)1-2-4(7)8/h3-5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 3.88E+5n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


J Med Chem 57: 2213-36 (2014)


Article DOI: 10.1021/jm401603e
BindingDB Entry DOI: 10.7270/Q22N53TP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50005792
PNG
(CHEMBL3236215)
Show SMILES Fc1cccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H17F4N3O4S/c25-16-3-1-2-14(10-16)12-30-23(33)20-13-29-21-9-8-18(11-19(21)22(20)32)36(34,35)31-17-6-4-15(5-7-17)24(26,27)28/h1-11,13,31H,12H2,(H,29,32)(H,30,33)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by FRET assay


Eur J Med Chem 79: 413-21 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.025
BindingDB Entry DOI: 10.7270/Q2KS6T2X
More data for this
Ligand-Target Pair