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17 similar compounds to monomer 50181506

Compile data set for download or QSAR
Wt: 317.7
BDBM2283
Wt: 541.5
BDBM50158900
Wt: 507.8
BDBM50181502
Wt: 504.9
BDBM50181503
Wt: 404.8
BDBM50181504
Wt: 295.2
BDBM50181514
Wt: 241.2
BDBM50181516
Wt: 227.2
BDBM50181517
Wt: 305.3
BDBM50181522
Wt: 321.3
BDBM50181524
Wt: 301.3
BDBM50181529
Wt: 409.3
BDBM50181530
Wt: 451.9
BDBM50156537
Wt: 444.3
BDBM50156540
Wt: 477.8
BDBM50156541
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 2283,50158900,50181502,50181503,50181504,50181514,50181516,50181517,50181522,50181524,50181529,50181530,50156537,50156540,50156541   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2283
PNG
(5Cl3PhS-2IndolCONH2 inhibitor 9b | methyl 5-chloro...)
Show SMILES COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-16(19)14-15(21-11-5-3-2-4-6-11)12-9-10(17)7-8-13(12)18-14/h2-9,18H,1H3
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n/an/a 156n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181516
PNG
(CHEMBL3819390)
Show SMILES Nc1nc2[nH]c(SCCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15)
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n/an/an/a 4.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156540
PNG
(CHEMBL3793802)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(Cl)c1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H19Cl2NO5S/c20-12-3-1-9(5-13(12)21)26-7-11-10-2-4-16(27-17(10)6-15(11)23)18-22-14(8-28-18)19(24)25/h1,3,5,8,10-11,15-17,23H,2,4,6-7H2,(H,24,25)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a 0.570n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156541
PNG
(CHEMBL3794302)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(c1)C(F)(F)F)c1nc(cs1)C(O)=O
Show InChI InChI=1/C20H19ClF3NO5S/c21-13-3-1-9(5-12(13)20(22,23)24)29-7-11-10-2-4-16(30-17(10)6-15(11)26)18-25-14(8-31-18)19(27)28/h1,3,5,8,10-11,15-17,26H,2,4,6-7H2,(H,27,28)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a 0.110n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156541
PNG
(CHEMBL3794302)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(c1)C(F)(F)F)c1nc(cs1)C(O)=O
Show InChI InChI=1/C20H19ClF3NO5S/c21-13-3-1-9(5-12(13)20(22,23)24)29-7-11-10-2-4-16(30-17(10)6-15(11)26)18-25-14(8-31-18)19(27)28/h1,3,5,8,10-11,15-17,26H,2,4,6-7H2,(H,27,28)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156540
PNG
(CHEMBL3793802)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(Cl)c1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H19Cl2NO5S/c20-12-3-1-9(5-13(12)21)26-7-11-10-2-4-16(27-17(10)6-15(11)23)18-22-14(8-28-18)19(24)25/h1,3,5,8,10-11,15-17,23H,2,4,6-7H2,(H,24,25)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156537
PNG
(CHEMBL3793020)
Show SMILES CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C22H26ClNO5S/c1-11(2)14-7-12(3-5-16(14)23)28-9-15-13-4-6-19(29-20(13)8-18(15)25)21-24-17(10-30-21)22(26)27/h3,5,7,10-11,13,15,18-20,25H,4,6,8-9H2,1-2H3,(H,26,27)/t13-,15-,18-,19-,20+/s2
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50158900
PNG
(CHEMBL3786280)
Show SMILES CC1(C)CC(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C1(F)CNC1)C(F)(F)F
Show InChI InChI=1/C24H23F4N3O3S2/c1-22(2)11-18(16-5-3-14(24(26,27)28)9-19(16)23(25)12-29-13-23)17-6-4-15(10-20(17)34-22)36(32,33)31-21-30-7-8-35-21/h3-10,18,29H,11-13H2,1-2H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181502
PNG
(CHEMBL3818510)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC
Show InChI InChI=1/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181504
PNG
(CHEMBL3818898)
Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181504
PNG
(CHEMBL3818898)
Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181502
PNG
(CHEMBL3818510)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC
Show InChI InChI=1/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(H,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181503
PNG
(CHEMBL3819513)
Show SMILES CCCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C23H23ClF2N6O3/c1-2-10-31(20(34)13-33)19-12-32(30-21(19)15-6-8-16(24)9-7-15)23(28-14-27)29-17-4-3-5-18(11-17)35-22(25)26/h3-9,11,19,22,33H,2,10,12-13H2,1H3,(H,28,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181514
PNG
(CHEMBL3819351)
Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1
Show InChI InChI=1/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)
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n/an/an/a 9.70E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181516
PNG
(CHEMBL3819390)
Show SMILES Nc1nc2[nH]c(SCCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15)
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n/an/an/a 6.80E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181517
PNG
(CHEMBL3818353)
Show SMILES Nc1nc2[nH]c(SCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14)
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n/an/an/a 8.92E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181522
PNG
(CHEMBL3819098)
Show SMILES Cc1cc(F)ccc1CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C13H12FN5OS/c1-6-4-8(14)3-2-7(6)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 1.97E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181524
PNG
(CHEMBL3819161)
Show SMILES COc1ccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H12FN5O2S/c1-21-7-3-2-6(8(14)4-7)5-22-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 300n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181529
PNG
(CHEMBL3818941)
Show SMILES Cc1cccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1C
Show InChI InChI=1S/C14H15N5OS/c1-7-4-3-5-9(8(7)2)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)
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n/an/an/a 841n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181530
PNG
(CHEMBL3818653)
Show SMILES Nc1nc2[nH]c(SCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H9F6N5OS/c15-13(16,17)6-1-5(2-7(3-6)14(18,19)20)4-27-12-22-8-9(24-12)23-11(21)25-10(8)26/h1-3H,4H2,(H4,21,22,23,24,25,26)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181517
PNG
(CHEMBL3818353)
Show SMILES Nc1nc2[nH]c(SCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14)
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n/an/an/a 7.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181522
PNG
(CHEMBL3819098)
Show SMILES Cc1cc(F)ccc1CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C13H12FN5OS/c1-6-4-8(14)3-2-7(6)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 1.63E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181524
PNG
(CHEMBL3819161)
Show SMILES COc1ccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H12FN5O2S/c1-21-7-3-2-6(8(14)4-7)5-22-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 950n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181529
PNG
(CHEMBL3818941)
Show SMILES Cc1cccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1C
Show InChI InChI=1S/C14H15N5OS/c1-7-4-3-5-9(8(7)2)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)
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n/an/an/a 6.10E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181514
PNG
(CHEMBL3819351)
Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1
Show InChI InChI=1/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)
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n/an/an/a 3.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


J Med Chem 59: 5248-63 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00002
BindingDB Entry DOI: 10.7270/Q2057HWV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50156537
PNG
(CHEMBL3793020)
Show SMILES CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C22H26ClNO5S/c1-11(2)14-7-12(3-5-16(14)23)28-9-15-13-4-6-19(29-20(13)8-18(15)25)21-24-17(10-30-21)22(26)27/h3,5,7,10-11,13,15,18-20,25H,4,6,8-9H2,1-2H3,(H,26,27)/t13-,15-,18-,19-,20+/s2
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n/an/an/an/a 2n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Bioorg Med Chem Lett 26: 2446-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.110
BindingDB Entry DOI: 10.7270/Q2H41T90
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Ligand-Target Pair