BindingDB logo
myBDB logout

8 similar compounds to monomer 50179184

Compile data set for download or QSAR
Wt: 398.1
BDBM50194151
Wt: 414.1
BDBM50303353
Wt: 494.1
BDBM50306712
Wt: 414.1
BDBM50306713
Wt: 494.1
BDBM50319140
Wt: 478.1
BDBM50319144
Wt: 512.6
BDBM50108126

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50194151,50303353,50306712,50306713,50319140,50319144,50108126   
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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50319144
PNG
(((1S,2S,4S,5S)-4-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES O[C@H]1C[C@@H]([C@H]2C[C@]12COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O13P3/c14-8-3-7(13-2-1-9(15)12-10(13)16)6-4-11(6,8)5-24-28(20,21)26-29(22,23)25-27(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t6-,7+,8+,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50108126
PNG
(CHEMBL3600586)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(O)c4[N+]([O-])=O)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H36N2O5S/c1-27(2,3)17-5-7-18(8-6-17)36(34,35)29-25-14-12-23-21-9-10-22-19(20(21)15-16-28(23,25)4)11-13-24(31)26(22)30(32)33/h5-8,11,13,20-21,23,25,29,31H,9-10,12,14-16H2,1-4H3/t20-,21-,23+,25+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay


Bioorg Med Chem 23: 5681-92 (2015)


Article DOI: 10.1016/j.bmc.2015.07.019
BindingDB Entry DOI: 10.7270/Q2R78H03
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.37E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50303353
PNG
(CHEMBL1086489 | CHEMBL567321 | Triethylazanium ({[...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 42n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50319144
PNG
(((1S,2S,4S,5S)-4-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES O[C@H]1C[C@@H]([C@H]2C[C@]12COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O13P3/c14-8-3-7(13-2-1-9(15)12-10(13)16)6-4-11(6,8)5-24-28(20,21)26-29(22,23)25-27(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t6-,7+,8+,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50194151
PNG
(CHEMBL212090 | [(2R,3S,5S)-5-(2,4-dioxo-3,4-dihydr...)
Show SMILES O[C@H]1C[C@]2(CC2[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O10P2/c14-8-4-11(13-2-1-9(15)12-10(13)16)3-7(11)6(8)5-22-25(20,21)23-24(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,12,15,16)(H2,17,18,19)/t6-,7?,8-,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 230n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production


J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.9n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay


J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50306713
PNG
(((1S,2R,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 230n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay


J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50303353
PNG
(CHEMBL1086489 | CHEMBL567321 | Triethylazanium ({[...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 42n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 4 (hP2Y4) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 49n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 4 (hP2Y4) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.9n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair