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14 similar compounds to monomer 50122449

Compile data set for download or QSAR
Wt: 647.7
BDBM50122457
Wt: 611.6
BDBM50122458
Wt: 252.1
BDBM50122439
Wt: 276.3
BDBM50122438
Purchase
Wt: 258.2
BDBM50122440
Wt: 325.7
BDBM50122441
Wt: 314.2
BDBM50122444
Wt: 277.2
BDBM50122445
Wt: 438.4
BDBM50122447
Wt: 413.8
BDBM50122448
Purchase
Wt: 478.5
BDBM50122450
Wt: 564.7
BDBM50122451
Wt: 290.3
BDBM50122442
Purchase
Wt: 392.4
BDBM50122443

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50122457,50122458,50122439,50122438,50122440,50122441,50122444,50122445,50122447,50122448,50122450,50122451,50122442,50122443   
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
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122438
PNG
(CHEMBL1611341)
Show SMILES OC(=O)CC1N(CCCc2ccccc2)CCNC1=O
Show InChI InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50122445
PNG
(CHEMBL463072)
Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O
Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by PAGE


Bioorg Med Chem 17: 2925-35 (2009)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122440
PNG
(CHEMBL3622454)
Show SMILES OC(=O)CCc1nn2c(nc3ccccc23)nc1O
Show InChI InChI=1S/C12H10N4O3/c17-10(18)6-5-8-11(19)14-12-13-7-3-1-2-4-9(7)16(12)15-8/h1-4H,5-6H2,(H,17,18)(H,13,14,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122441
PNG
(CHEMBL3622455)
Show SMILES OC(=O)CCc1nnc(SCc2ccc(Cl)cc2)nc1O
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-3-1-8(2-4-9)7-21-13-15-12(20)10(16-17-13)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H,15,17,20)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122442
PNG
(CHEMBL3622456)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C14H18N4O3/c1-19-11-7-9-10(8-12(11)20-2)16-14(17-13(9)15)18-3-5-21-6-4-18/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122443
PNG
(CHEMBL3622457)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H20N4O4/c26-18-10-13-9-17(25-15(13)11-19(18)27)21(29)23-7-3-6-22-20(28)16-8-12-4-1-2-5-14(12)24-16/h1-2,4-5,8-11,24-27H,3,6-7H2,(H,22,28)(H,23,29)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122444
PNG
(CHEMBL3622458)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O4/c20-14(16-11-4-2-1-3-5-11)10-15(21)18-17-12-6-8-13(9-7-12)19(22)23/h1-9,17H,10H2,(H,16,20)(H,18,21)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122445
PNG
(CHEMBL463072)
Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O
Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122447
PNG
(CHEMBL3622460)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCCNC(=O)c1cc2cc(O)c(O)cc2[nH]1
Show InChI InChI=1S/C22H22N4O6/c27-17-7-11-5-15(25-13(11)9-19(17)29)21(31)23-3-1-2-4-24-22(32)16-6-12-8-18(28)20(30)10-14(12)26-16/h5-10,25-30H,1-4H2,(H,23,31)(H,24,32)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122450
PNG
(CHEMBL3622493)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H30N6O/c1-3-35(26-10-6-7-21(2)17-26)27(36)24-13-11-22(12-14-24)18-30-28-31-20-32-29(33-28)34-16-15-23-8-4-5-9-25(23)19-34/h4-14,17,20H,3,15-16,18-19H2,1-2H3,(H,30,31,32,33)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122451
PNG
(CHEMBL3622492)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C33H40N8O/c1-5-41(29-12-8-9-24(2)21-29)30(42)27-15-13-25(14-16-27)22-35-32-36-31(34-18-20-39(3)4)37-33(38-32)40-19-17-26-10-6-7-11-28(26)23-40/h6-16,21H,5,17-20,22-23H2,1-4H3,(H2,34,35,36,37,38)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122457
PNG
(CHEMBL3622486)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H41N7O4/c1-5-44(30-9-6-8-25(2)20-30)34(45)27-13-11-26(12-14-27)23-39-36-40-35(38-17-15-31-10-7-19-48-31)41-37(42-36)43-18-16-28-21-32(46-3)33(47-4)22-29(28)24-43/h6-14,19-22H,5,15-18,23-24H2,1-4H3,(H2,38,39,40,41,42)
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n/an/a 163n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122458
PNG
(CHEMBL3622485)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCC(O)=O)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C33H37N7O5/c1-5-40(26-8-6-7-21(2)15-26)30(43)23-11-9-22(10-12-23)18-34-31-36-32(35-19-29(41)42)38-33(37-31)39-14-13-24-16-27(44-3)28(45-4)17-25(24)20-39/h6-12,15-17H,5,13-14,18-20H2,1-4H3,(H,41,42)(H2,34,35,36,37,38)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 430n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
BindingDB Entry DOI: 10.7270/Q2VQ34XH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrase


(Human immunodeficiency virus 1)
BDBM50122445
PNG
(CHEMBL463072)
Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O
Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity by PAGE


Bioorg Med Chem 17: 2925-35 (2009)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122439
PNG
(CHEMBL3622453)
Show SMILES Cc1cc(NC(=O)c2c(O)nc(O)[nH]c2=O)no1
Show InChI InChI=1S/C9H8N4O5/c1-3-2-4(13-18-3)10-6(14)5-7(15)11-9(17)12-8(5)16/h2H,1H3,(H,10,13,14)(H3,11,12,15,16,17)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair